[(3S)-7-chloranyl-2-oxidanylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl] ethanoate

Systemtic Name: [(3S)-7-chloranyl-2-oxidanylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl] ethanoate Openeye Name: [(3S)-7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl] acetate CAS Name: acetic acid [(3S)-7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl] ester IUPAC Name: [(3S)-7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl] acetate Traditional Name: acetic acid [(3S)-7-chloro-2-keto-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl] ester Formula: C17H13ClN2O3 MolecularWeight: 328.74972

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(=O)NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C17H13ClN2O3/c1-10(21)23-17-16(22)19-14-8-7-12(18)9-13(14)15(20-17)11-5-3-2-4-6-11/h2-9,17H,1H3,(H,19,22)/t17-/m0/s1