2-(3-acetyloxy-7-chloranyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl)ethyl ethanoate

Systemtic Name: 2-(3-acetyloxy-7-chloranyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl)ethyl ethanoate Openeye Name: 2-(3-acetoxy-7-chloro-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)ethyl acetate CAS Name: acetic acid 2-(3-acetyloxy-7-chloro-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)ethyl ester IUPAC Name: 2-(3-acetyloxy-7-chloro-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)ethyl acetate Traditional Name: acetic acid 2-(3-acetoxy-7-chloro-2-keto-5-phenyl-3H-1,4-benzodiazepin-1-yl)ethyl ester Formula: C21H19ClN2O5 MolecularWeight: 414.83896

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)OC(=O)C)C3=CC=CC=C3

Isomeric SMILES

CC(=O)OCCN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)OC(=O)C)C3=CC=CC=C3

InChI

InChI=1S/C21H19ClN2O5/c1-13(25)28-11-10-24-18-9-8-16(22)12-17(18)19(15-6-4-3-5-7-15)23-20(21(24)27)29-14(2)26/h3-9,12,20H,10-11H2,1-2H3