| SpectraBase Spectrum ID |
F71hCBVk2K8 |
| Name |
3,4,10-Metheno-1H,6H-cyclopropa[ef][1,2,4]triazolo[1,2-b][2,3]benzodiazepine-1,2-dicarboxylic acid, decahydro-6,8-dioxo-7-phenyl-, dimethyl ester, (1.alpha.,2.alpha.,3.alpha.,3a.beta.,3b.beta.,4.alpha.,10.alpha.,10a.beta.,10b.beta.,11R*)- |
| Alternate Name(s) |
Dimethyl 12,14-dioxo-13-phenyl-11,13,15-triazahexacyclo[7.6.0.0(2,4).0(3,8).0(5,10).0(11,15)]pentadecane-6,7-dicarboxylate
N-phenyl-9,10-bis(methoxycarbonyl)-2,3-diazapentacyclo[6.4.0.0(4,12).0(5,7).0(6,11)]dodeca-2,3-dicarboximide |
| CAS Registry Number |
89676-72-2 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H21N3O6 |
| InChI |
InChI=1S/C22H21N3O6/c1-30-19(26)14-11-9-10-12(9)17-16(11)18(13(10)15(14)20(27)31-2)25-22(29)23(21(28)24(17)25)8-6-4-3-5-7-8/h3-7,9-18H,1-2H3/t9-,10-,11-,12+,13+,14?,15?,16+,17-,18+/m0/s1 |
| InChIKey |
JRXXWYRHPMKNQS-KHNFPCAYSA-N |
| Molecular Weight |
423.425 g/mol |
| SMILES |
C1(N2N(C(N1c1ccccc1)=O)[C@@]1([C@]3([C@@]4(C(C([C@]([C@@]23[H])([C@]2([C@@]4([C@@]12[H])[H])[H])[H])C(=O)OC)C(=O)OC)[H])[H])[H])=O |
| SPLASH |
splash10-00di-2501900000-9af8f77c2ac038d6d37a |
| Source of Spectrum |
C-106-2881-0 |
| Wiley ID |
1378942 |
![3,4,10-Metheno-1H,6H-cyclopropa[ef][1,2,4]triazolo[1,2-b][2,3]benzodiazepine-1,2-dicarboxylic acid, decahydro-6,8-dioxo-7-phenyl-, dimethyl ester, (1.alpha.,2.alpha.,3.alpha.,3a.beta.,3b.beta.,4.alpha.,10.alpha.,10a.beta.,10b.beta.,11R*)-](/api/spectrum/F71hCBVk2K8/structure.png?h=300&w=458 "3,4,10-Metheno-1H,6H-cyclopropa[ef][1,2,4]triazolo[1,2-b][2,3]benzodiazepine-1,2-dicarboxylic acid, decahydro-6,8-dioxo-7-phenyl-, dimethyl ester, (1.alpha.,2.alpha.,3.alpha.,3a.beta.,3b.beta.,4.alpha.,10.alpha.,10a.beta.,10b.beta.,11R*)-")
