ethyl 7,8-dimethoxy-1-(4-methoxyphenyl)-5-oxidanylidene-2,3-benzodiazepine-4-carboxylate

Systemtic Name: ethyl 7,8-dimethoxy-1-(4-methoxyphenyl)-5-oxidanylidene-2,3-benzodiazepine-4-carboxylate Openeye Name: ethyl 7,8-dimethoxy-1-(4-methoxyphenyl)-5-oxo-2,3-benzodiazepine-4-carboxylate CAS Name: 7,8-dimethoxy-1-(4-methoxyphenyl)-5-oxo-2,3-benzodiazepine-4-carboxylic acid ethyl ester IUPAC Name: ethyl 7,8-dimethoxy-1-(4-methoxyphenyl)-5-oxo-2,3-benzodiazepine-4-carboxylate Traditional Name: 5-keto-7,8-dimethoxy-1-(4-methoxyphenyl)-2,3-benzodiazepine-4-carboxylic acid ethyl ester Formula: C21H20N2O6 MolecularWeight: 396.3933

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN=C(C2=CC(=C(C=C2C1=O)OC)OC)C3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)C1=NN=C(C2=CC(=C(C=C2C1=O)OC)OC)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H20N2O6/c1-5-29-21(25)19-20(24)15-11-17(28-4)16(27-3)10-14(15)18(22-23-19)12-6-8-13(26-2)9-7-12/h6-11H,5H2,1-4H3