ethyl 2-methyl-4-[2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoylamino]-1H-1,5-benzodiazepine-3-carboxylate

Systemtic Name: ethyl 2-methyl-4-[2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoylamino]-1H-1,5-benzodiazepine-3-carboxylate Openeye Name: ethyl 2-methyl-4-[[2-(5-nitro-1,3-dioxo-isoindolin-2-yl)acetyl]amino]-1H-1,5-benzodiazepine-3-carboxylate CAS Name: 2-methyl-4-[[2-(5-nitro-1,3-dioxo-2-isoindolyl)-1-oxoethyl]amino]-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-4-[[2-(5-nitro-1,3-dioxoisoindol-2-yl)acetyl]amino]-1H-1,5-benzodiazepine-3-carboxylate Traditional Name: 4-[[2-(1,3-diketo-5-nitro-isoindolin-2-yl)acetyl]amino]-2-methyl-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester Formula: C23H19N5O7 MolecularWeight: 477.42626

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=CC=CC=C2N=C1NC(=O)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(NC2=CC=CC=C2N=C1NC(=O)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-])C

InChI

InChI=1S/C23H19N5O7/c1-3-35-23(32)19-12(2)24-16-6-4-5-7-17(16)25-20(19)26-18(29)11-27-21(30)14-9-8-13(28(33)34)10-15(14)22(27)31/h4-10,24H,3,11H2,1-2H3,(H,25,26,29)