| SpectraBase Spectrum ID |
u1HBhVO09K |
| Name |
7-Carboxy-2,4-dimethyl-5H-benzo[b][1,4]diazepin-1-ium picrate |
| Alternate Name(s) |
7-carboxy-2,4-dimethyl-5H-1,5-benzodiazepin-1-ium 2,4,6-trinitrobenzenolate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H15N5O9 |
| InChI |
InChI=1S/C12H12N2O2.C6H3N3O7/c1-7-5-8(2)14-11-6-9(12(15)16)3-4-10(11)13-7;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h3-6,14H,1-2H3,(H,15,16);1-2,10H |
| InChIKey |
ZPZRUJGGSWGRSF-UHFFFAOYSA-N |
| Molecular Weight |
445.344 g/mol |
| SMILES |
c1([O-])c(N(=O)=O)cc(N(=O)=O)cc1N(=O)=O.[NH+]1=C(C=C(Nc2cc(C(=O)O)ccc12)C)C |
| SPLASH |
splash10-02t9-9560000000-aaff263836c36e6d447c |
| Source of Spectrum |
O1-60-2650-7 |
| Wiley ID |
1592247 |
![7-Carboxy-2,4-dimethyl-5H-benzo[b][1,4]diazepin-1-ium picrate](/api/spectrum/u1HBhVO09K/structure.png?h=300&w=458 "7-Carboxy-2,4-dimethyl-5H-benzo[b][1,4]diazepin-1-ium picrate")
