ethyl 2-(2-ethoxy-2-oxidanylidene-ethyl)-7-nitro-2,5-dihydro-1H-1,5-benzodiazepine-3-carboxylate

Systemtic Name: ethyl 2-(2-ethoxy-2-oxidanylidene-ethyl)-7-nitro-2,5-dihydro-1H-1,5-benzodiazepine-3-carboxylate Openeye Name: ethyl 2-(2-ethoxy-2-oxo-ethyl)-7-nitro-2,5-dihydro-1H-1,5-benzodiazepine-3-carboxylate CAS Name: 2-(2-ethoxy-2-oxoethyl)-7-nitro-2,5-dihydro-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(2-ethoxy-2-oxoethyl)-7-nitro-2,5-dihydro-1H-1,5-benzodiazepine-3-carboxylate Traditional Name: 2-(2-ethoxy-2-keto-ethyl)-7-nitro-2,5-dihydro-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester Formula: C16H19N3O6 MolecularWeight: 349.33856

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1C(=CNC2=C(N1)C=CC(=C2)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCOC(=O)CC1C(=CNC2=C(N1)C=CC(=C2)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C16H19N3O6/c1-3-24-15(20)8-13-11(16(21)25-4-2)9-17-14-7-10(19(22)23)5-6-12(14)18-13/h5-7,9,13,17-18H,3-4,8H2,1-2H3