4-cyclopropyl-2-(2-methoxy-2-oxidanylidene-ethyl)-3-oxidanylidene-2,5-dihydro-1H-1,4-benzodiazepine-7-carboxylic acid

Systemtic Name: 4-cyclopropyl-2-(2-methoxy-2-oxidanylidene-ethyl)-3-oxidanylidene-2,5-dihydro-1H-1,4-benzodiazepine-7-carboxylic acid Openeye Name: 4-cyclopropyl-2-(2-methoxy-2-oxo-ethyl)-3-oxo-2,5-dihydro-1H-1,4-benzodiazepine-7-carboxylic acid CAS Name: 4-cyclopropyl-2-(2-methoxy-2-oxoethyl)-3-oxo-2,5-dihydro-1H-1,4-benzodiazepine-7-carboxylic acid IUPAC Name: 4-cyclopropyl-2-(2-methoxy-2-oxoethyl)-3-oxo-2,5-dihydro-1H-1,4-benzodiazepine-7-carboxylic acid Traditional Name: 4-cyclopropyl-3-keto-2-(2-keto-2-methoxy-ethyl)-2,5-dihydro-1H-1,4-benzodiazepine-7-carboxylic acid Formula: C16H18N2O5 MolecularWeight: 318.32452

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1C(=O)N(CC2=C(N1)C=CC(=C2)C(=O)O)C3CC3

Isomeric SMILES

COC(=O)CC1C(=O)N(CC2=C(N1)C=CC(=C2)C(=O)O)C3CC3

InChI

InChI=1S/C16H18N2O5/c1-23-14(19)7-13-15(20)18(11-3-4-11)8-10-6-9(16(21)22)2-5-12(10)17-13/h2,5-6,11,13,17H,3-4,7-8H2,1H3,(H,21,22)