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

Systemtic Name: [7-bromanyl-5-(2-chlorophenyl)-2-oxidanylidene-1,3-dihydro-1,4-benzodiazepin-3-yl] pyridine-3-carboxylate Openeye Name: [7-bromo-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic 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] pyridine-3-carboxylate Traditional Name: nicotinic acid [7-bromo-5-(2-chlorophenyl)-2-keto-1,3-dihydro-1,4-benzodiazepin-3-yl] ester Formula: C21H13BrClN3O3 MolecularWeight: 470.70322

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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=CN=CC=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H13BrClN3O3/c22-13-7-8-17-15(10-13)18(14-5-1-2-6-16(14)23)26-20(19(27)25-17)29-21(28)12-4-3-9-24-11-12/h1-11,20H,(H,25,27)