6-(2-methoxy-2-oxidanylidene-ethyl)-11-methyl-5,6-dihydrobenzo[b][1,4]benzodiazepine-2-carboxylic acid

Systemtic Name: 6-(2-methoxy-2-oxidanylidene-ethyl)-11-methyl-5,6-dihydrobenzo[b][1,4]benzodiazepine-2-carboxylic acid Openeye Name: 6-(2-methoxy-2-oxo-ethyl)-11-methyl-5,6-dihydrobenzo[b][1,4]benzodiazepine-2-carboxylic acid CAS Name: 6-(2-methoxy-2-oxoethyl)-11-methyl-5,6-dihydrobenzo[b][1,4]benzodiazepine-2-carboxylic acid IUPAC Name: 6-(2-methoxy-2-oxoethyl)-11-methyl-5,6-dihydrobenzo[b][1,4]benzodiazepine-2-carboxylic acid Traditional Name: 6-(2-keto-2-methoxy-ethyl)-11-methyl-5,6-dihydrobenzo[b][1,4]benzodiazepine-2-carboxylic acid Formula: C18H18N2O4 MolecularWeight: 326.34652

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(NC3=C1C=C(C=C3)C(=O)O)CC(=O)OC

Isomeric SMILES

CN1C2=CC=CC=C2C(NC3=C1C=C(C=C3)C(=O)O)CC(=O)OC

InChI

InChI=1S/C18H18N2O4/c1-20-15-6-4-3-5-12(15)14(10-17(21)24-2)19-13-8-7-11(18(22)23)9-16(13)20/h3-9,14,19H,10H2,1-2H3,(H,22,23)