methyl 7-(methylamino)-2-oxidanylidene-1,3-dihydro-1,4-benzodiazepine-5-carboxylate

Systemtic Name: methyl 7-(methylamino)-2-oxidanylidene-1,3-dihydro-1,4-benzodiazepine-5-carboxylate Openeye Name: methyl 7-(methylamino)-2-oxo-1,3-dihydro-1,4-benzodiazepine-5-carboxylate CAS Name: 7-(methylamino)-2-oxo-1,3-dihydro-1,4-benzodiazepine-5-carboxylic acid methyl ester IUPAC Name: methyl 7-(methylamino)-2-oxo-1,3-dihydro-1,4-benzodiazepine-5-carboxylate Traditional Name: 2-keto-7-(methylamino)-1,3-dihydro-1,4-benzodiazepine-5-carboxylic acid methyl ester Formula: C12H13N3O3 MolecularWeight: 247.24992

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=CC2=C(C=C1)NC(=O)CN=C2C(=O)OC

Isomeric SMILES

CNC1=CC2=C(C=C1)NC(=O)CN=C2C(=O)OC

InChI

InChI=1S/C12H13N3O3/c1-13-7-3-4-9-8(5-7)11(12(17)18-2)14-6-10(16)15-9/h3-5,13H,6H2,1-2H3,(H,15,16)