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

Systemtic Name: ethyl 4-[(4-chloranyl-3-nitro-phenyl)carbonylamino]-2-ethyl-1H-1,5-benzodiazepine-3-carboxylate Openeye Name: ethyl 4-[(4-chloro-3-nitro-benzoyl)amino]-2-ethyl-1H-1,5-benzodiazepine-3-carboxylate CAS Name: 4-[[(4-chloro-3-nitrophenyl)-oxomethyl]amino]-2-ethyl-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-chloro-3-nitrobenzoyl)amino]-2-ethyl-1H-1,5-benzodiazepine-3-carboxylate Traditional Name: 4-[(4-chloro-3-nitro-benzoyl)amino]-2-ethyl-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester Formula: C21H19ClN4O5 MolecularWeight: 442.85236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClN4O5/c1-3-14-18(21(28)31-4-2)19(24-16-8-6-5-7-15(16)23-14)25-20(27)12-9-10-13(22)17(11-12)26(29)30/h5-11,23H,3-4H2,1-2H3,(H,24,25,27)