| SpectraBase Spectrum ID |
1NYRodR0fws |
| Name |
3-Acetyl-4-[2'-imino-1'-(ethoxycarbonyl)propyl]-6-nitrochroman-2-one |
| Alternate Name(s) |
Ethyl 2-(3-acetyl-6-nitro-2-oxo-3,4-dihydro-2H-chromen-4-yl)-3-iminobutanoate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H18N2O7 |
| InChI |
InChI=1S/C17H18N2O7/c1-4-25-16(21)13(8(2)18)15-11-7-10(19(23)24)5-6-12(11)26-17(22)14(15)9(3)20/h5-7,13-15,18H,4H2,1-3H3 |
| InChIKey |
SARLVHDABRJWFQ-UHFFFAOYSA-N |
| Molecular Weight |
362.338 g/mol |
| SMILES |
N=C(C(C1C(C(Oc2c1cc(N(=O)=O)cc2)=O)C(=O)C)C(=O)OCC)C |
| SPLASH |
splash10-03di-0019000000-f5bccb499d0572e15322 |
| Source of Spectrum |
D8-328-55-3 |
| Wiley ID |
1515580 |
