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

Systemtic Name: methyl 2-[[7-bromanyl-5-(2-chlorophenyl)-2-oxidanylidene-1,3-dihydro-1,4-benzodiazepin-3-yl]amino]benzoate Openeye Name: methyl 2-[[7-bromo-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]amino]benzoate CAS Name: 2-[[7-bromo-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[7-bromo-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]amino]benzoate Traditional Name: 2-[[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=C1NC2C(=O)NC3=C(C=C(C=C3)Br)C(=N2)C4=CC=CC=C4Cl

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC2C(=O)NC3=C(C=C(C=C3)Br)C(=N2)C4=CC=CC=C4Cl

InChI

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