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

Systemtic Name: [7-bromanyl-5-(2-chlorophenyl)-2-oxidanylidene-1,3-dihydro-1,4-benzodiazepin-3-yl] benzoate Openeye Name: [7-bromo-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl] benzoate CAS Name: 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] benzoate Traditional Name: benzoic acid [7-bromo-5-(2-chlorophenyl)-2-keto-1,3-dihydro-1,4-benzodiazepin-3-yl] ester Formula: C22H14BrClN2O3 MolecularWeight: 469.71516

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OC2C(=O)NC3=C(C=C(C=C3)Br)C(=N2)C4=CC=CC=C4Cl

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC2C(=O)NC3=C(C=C(C=C3)Br)C(=N2)C4=CC=CC=C4Cl

InChI

InChI=1S/C22H14BrClN2O3/c23-14-10-11-18-16(12-14)19(15-8-4-5-9-17(15)24)26-21(20(27)25-18)29-22(28)13-6-2-1-3-7-13/h1-12,21H,(H,25,27)