ethyl 7-chloranyl-1-methyl-2-oxidanylidene-5-phenyl-3,5-dihydro-1,4-benzodiazepine-4-carboxylate

Systemtic Name: ethyl 7-chloranyl-1-methyl-2-oxidanylidene-5-phenyl-3,5-dihydro-1,4-benzodiazepine-4-carboxylate Openeye Name: ethyl 7-chloro-1-methyl-2-oxo-5-phenyl-3,5-dihydro-1,4-benzodiazepine-4-carboxylate CAS Name: 7-chloro-1-methyl-2-oxo-5-phenyl-3,5-dihydro-1,4-benzodiazepine-4-carboxylic acid ethyl ester IUPAC Name: ethyl 7-chloro-1-methyl-2-oxo-5-phenyl-3,5-dihydro-1,4-benzodiazepine-4-carboxylate Traditional Name: 7-chloro-2-keto-1-methyl-5-phenyl-3,5-dihydro-1,4-benzodiazepine-4-carboxylic acid ethyl ester Formula: C19H19ClN2O3 MolecularWeight: 358.81876

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC(=O)N(C2=C(C1C3=CC=CC=C3)C=C(C=C2)Cl)C

Isomeric SMILES

CCOC(=O)N1CC(=O)N(C2=C(C1C3=CC=CC=C3)C=C(C=C2)Cl)C

InChI

InChI=1S/C19H19ClN2O3/c1-3-25-19(24)22-12-17(23)21(2)16-10-9-14(20)11-15(16)18(22)13-7-5-4-6-8-13/h4-11,18H,3,12H2,1-2H3