2-(2-methoxy-2-oxidanylidene-ethyl)-5-oxidanylidene-4-phenethyl-2,3-dihydro-1H-1,4-benzodiazepine-8-carboxylic acid

Systemtic Name: 2-(2-methoxy-2-oxidanylidene-ethyl)-5-oxidanylidene-4-phenethyl-2,3-dihydro-1H-1,4-benzodiazepine-8-carboxylic acid Openeye Name: 2-(2-methoxy-2-oxo-ethyl)-5-oxo-4-phenethyl-2,3-dihydro-1H-1,4-benzodiazepine-8-carboxylic acid CAS Name: 2-(2-methoxy-2-oxoethyl)-5-oxo-4-phenethyl-2,3-dihydro-1H-1,4-benzodiazepine-8-carboxylic acid IUPAC Name: 2-(2-methoxy-2-oxoethyl)-5-oxo-4-phenethyl-2,3-dihydro-1H-1,4-benzodiazepine-8-carboxylic acid Traditional Name: 5-keto-2-(2-keto-2-methoxy-ethyl)-4-phenethyl-2,3-dihydro-1H-1,4-benzodiazepine-8-carboxylic acid Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1CN(C(=O)C2=C(N1)C=C(C=C2)C(=O)O)CCC3=CC=CC=C3

Isomeric SMILES

COC(=O)CC1CN(C(=O)C2=C(N1)C=C(C=C2)C(=O)O)CCC3=CC=CC=C3

InChI

InChI=1S/C21H22N2O5/c1-28-19(24)12-16-13-23(10-9-14-5-3-2-4-6-14)20(25)17-8-7-15(21(26)27)11-18(17)22-16/h2-8,11,16,22H,9-10,12-13H2,1H3,(H,26,27)