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

Systemtic Name: 2-(hydroxymethyl)-3-oxidanylidene-4-(phenylmethyl)-2,5-dihydro-1H-1,4-benzodiazepine-7-carboxylate Openeye Name: 4-benzyl-2-(hydroxymethyl)-3-oxo-2,5-dihydro-1H-1,4-benzodiazepine-7-carboxylate CAS Name: 2-(hydroxymethyl)-3-oxo-4-(phenylmethyl)-2,5-dihydro-1H-1,4-benzodiazepine-7-carboxylate IUPAC Name: 4-benzyl-2-(hydroxymethyl)-3-oxo-2,5-dihydro-1H-1,4-benzodiazepine-7-carboxylate Traditional Name: 4-benzyl-3-keto-2-methylol-2,5-dihydro-1H-1,4-benzodiazepine-7-carboxylate Formula: C18H17N2O4- MolecularWeight: 325.33858

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC(=C2)C(=O)[O-])NC(C(=O)N1CC3=CC=CC=C3)CO

Isomeric SMILES

C1C2=C(C=CC(=C2)C(=O)[O-])NC(C(=O)N1CC3=CC=CC=C3)CO

InChI

InChI=1S/C18H18N2O4/c21-11-16-17(22)20(9-12-4-2-1-3-5-12)10-14-8-13(18(23)24)6-7-15(14)19-16/h1-8,16,19,21H,9-11H2,(H,23,24)/p-1