ethyl 2-ethyl-4-[(4-nitrophenyl)carbonylamino]-1H-1,5-benzodiazepine-3-carboxylate

Systemtic Name: ethyl 2-ethyl-4-[(4-nitrophenyl)carbonylamino]-1H-1,5-benzodiazepine-3-carboxylate Openeye Name: ethyl 2-ethyl-4-[(4-nitrobenzoyl)amino]-1H-1,5-benzodiazepine-3-carboxylate CAS Name: 2-ethyl-4-[[(4-nitrophenyl)-oxomethyl]amino]-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-ethyl-4-[(4-nitrobenzoyl)amino]-1H-1,5-benzodiazepine-3-carboxylate Traditional Name: 2-ethyl-4-[(4-nitrobenzoyl)amino]-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester Formula: C21H20N4O5 MolecularWeight: 408.4073

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC2=CC=CC=C2N1)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCC1=C(C(=NC2=CC=CC=C2N1)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C21H20N4O5/c1-3-15-18(21(27)30-4-2)19(23-17-8-6-5-7-16(17)22-15)24-20(26)13-9-11-14(12-10-13)25(28)29/h5-12,22H,3-4H2,1-2H3,(H,23,24,26)