[(3R)-7-chloranyl-3-(hydroxymethyl)-2-oxidanylidene-5-phenyl-1H-1,4-benzodiazepin-3-yl]methyl ethanoate

Systemtic Name: [(3R)-7-chloranyl-3-(hydroxymethyl)-2-oxidanylidene-5-phenyl-1H-1,4-benzodiazepin-3-yl]methyl ethanoate Openeye Name: [(3R)-7-chloro-3-(hydroxymethyl)-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl]methyl acetate CAS Name: acetic acid [(3R)-7-chloro-3-(hydroxymethyl)-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl]methyl ester IUPAC Name: [(3R)-7-chloro-3-(hydroxymethyl)-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl]methyl acetate Traditional Name: acetic acid [(3R)-7-chloro-2-keto-3-methylol-5-phenyl-1H-1,4-benzodiazepin-3-yl]methyl ester Formula: C19H17ClN2O4 MolecularWeight: 372.80228

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1(C(=O)NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3)CO

Isomeric SMILES

CC(=O)OC[C@@]1(C(=O)NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3)CO

InChI

InChI=1S/C19H17ClN2O4/c1-12(24)26-11-19(10-23)18(25)21-16-8-7-14(20)9-15(16)17(22-19)13-5-3-2-4-6-13/h2-9,23H,10-11H2,1H3,(H,21,25)/t19-/m1/s1