methyl 3-[[7-bromanyl-5-(2-chlorophenyl)-2-oxidanylidene-1,3-dihydro-1,4-benzodiazepin-3-yl]amino]benzoate

Systemtic Name: methyl 3-[[7-bromanyl-5-(2-chlorophenyl)-2-oxidanylidene-1,3-dihydro-1,4-benzodiazepin-3-yl]amino]benzoate Openeye Name: methyl 3-[[7-bromo-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]amino]benzoate CAS Name: 3-[[7-bromo-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[7-bromo-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]amino]benzoate Traditional Name: 3-[[7-bromo-5-(2-chlorophenyl)-2-keto-1,3-dihydro-1,4-benzodiazepin-3-yl]amino]benzoic acid methyl ester Formula: C23H17BrClN3O3 MolecularWeight: 498.75638

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC2C(=O)NC3=C(C=C(C=C3)Br)C(=N2)C4=CC=CC=C4Cl

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC2C(=O)NC3=C(C=C(C=C3)Br)C(=N2)C4=CC=CC=C4Cl

InChI

InChI=1S/C23H17BrClN3O3/c1-31-23(30)13-5-4-6-15(11-13)26-21-22(29)27-19-10-9-14(24)12-17(19)20(28-21)16-7-2-3-8-18(16)25/h2-12,21,26H,1H3,(H,27,29)