ethyl 8-chloranyl-4-methyl-1-(4-nitrophenyl)-4,5-dihydro-2,3-benzodiazepine-3-carboxylate

Systemtic Name: ethyl 8-chloranyl-4-methyl-1-(4-nitrophenyl)-4,5-dihydro-2,3-benzodiazepine-3-carboxylate Openeye Name: ethyl 8-chloro-4-methyl-1-(4-nitrophenyl)-4,5-dihydro-2,3-benzodiazepine-3-carboxylate CAS Name: 8-chloro-4-methyl-1-(4-nitrophenyl)-4,5-dihydro-2,3-benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 8-chloro-4-methyl-1-(4-nitrophenyl)-4,5-dihydro-2,3-benzodiazepine-3-carboxylate Traditional Name: 8-chloro-4-methyl-1-(4-nitrophenyl)-4,5-dihydro-2,3-benzodiazepine-3-carboxylic acid ethyl ester Formula: C19H18ClN3O4 MolecularWeight: 387.81692

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C(CC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)N1C(CC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C19H18ClN3O4/c1-3-27-19(24)22-12(2)10-14-4-7-15(20)11-17(14)18(21-22)13-5-8-16(9-6-13)23(25)26/h4-9,11-12H,3,10H2,1-2H3