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

Systemtic Name: methyl 2-(3-acetyloxy-7-bromanyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl)ethanoate Openeye Name: methyl 2-(3-acetoxy-7-bromo-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetate CAS Name: 2-(3-acetyloxy-7-bromo-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetic acid methyl ester IUPAC Name: methyl 2-(3-acetyloxy-7-bromo-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetate Traditional Name: 2-(3-acetoxy-7-bromo-2-keto-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetic acid methyl ester Formula: C20H17BrN2O5 MolecularWeight: 445.26338

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(=O)N(C2=C(C=C(C=C2)Br)C(=N1)C3=CC=CC=C3)CC(=O)OC

Isomeric SMILES

CC(=O)OC1C(=O)N(C2=C(C=C(C=C2)Br)C(=N1)C3=CC=CC=C3)CC(=O)OC

InChI

InChI=1S/C20H17BrN2O5/c1-12(24)28-19-20(26)23(11-17(25)27-2)16-9-8-14(21)10-15(16)18(22-19)13-6-4-3-5-7-13/h3-10,19H,11H2,1-2H3