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

Systemtic Name: 2-(hydroxymethyl)-4-methyl-3-oxidanylidene-2,5-dihydro-1H-1,4-benzodiazepine-7-carboxylate Openeye Name: 2-(hydroxymethyl)-4-methyl-3-oxo-2,5-dihydro-1H-1,4-benzodiazepine-7-carboxylate CAS Name: 2-(hydroxymethyl)-4-methyl-3-oxo-2,5-dihydro-1H-1,4-benzodiazepine-7-carboxylate IUPAC Name: 2-(hydroxymethyl)-4-methyl-3-oxo-2,5-dihydro-1H-1,4-benzodiazepine-7-carboxylate Traditional Name: 3-keto-4-methyl-2-methylol-2,5-dihydro-1H-1,4-benzodiazepine-7-carboxylate Formula: C12H13N2O4- MolecularWeight: 249.24262

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC2=C(C=CC(=C2)C(=O)[O-])NC(C1=O)CO

Isomeric SMILES

CN1CC2=C(C=CC(=C2)C(=O)[O-])NC(C1=O)CO

InChI

InChI=1S/C12H14N2O4/c1-14-5-8-4-7(12(17)18)2-3-9(8)13-10(6-15)11(14)16/h2-4,10,13,15H,5-6H2,1H3,(H,17,18)/p-1