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

Systemtic Name: [7-bromanyl-5-(2-chlorophenyl)-2-oxidanylidene-1,3-dihydro-1,4-benzodiazepin-3-yl] 4-(bromomethyl)benzoate Openeye Name: [7-bromo-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl] 4-(bromomethyl)benzoate CAS Name: 4-(bromomethyl)benzoic acid [7-bromo-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl] ester IUPAC Name: [7-bromo-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl] 4-(bromomethyl)benzoate Traditional Name: 4-(bromomethyl)benzoic acid [7-bromo-5-(2-chlorophenyl)-2-keto-1,3-dihydro-1,4-benzodiazepin-3-yl] ester Formula: C23H15Br2ClN2O3 MolecularWeight: 562.6378

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Br)OC(=O)C4=CC=C(C=C4)CBr)Cl

Isomeric SMILES

C1=CC=C(C(=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Br)OC(=O)C4=CC=C(C=C4)CBr)Cl

InChI

InChI=1S/C23H15Br2ClN2O3/c24-12-13-5-7-14(8-6-13)23(30)31-22-21(29)27-19-10-9-15(25)11-17(19)20(28-22)16-3-1-2-4-18(16)26/h1-11,22H,12H2,(H,27,29)