[2-(4-bromophenyl)-2-oxidanylidene-ethyl] 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate CAS Name: 2-(1,2,4-triazol-1-yl)-3-pyridinecarboxylic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate Traditional Name: 2-(1,2,4-triazol-1-yl)nicotinic acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C16H11BrN4O3 MolecularWeight: 387.18754

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)N2C=NC=N2)C(=O)OCC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC(=C(N=C1)N2C=NC=N2)C(=O)OCC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C16H11BrN4O3/c17-12-5-3-11(4-6-12)14(22)8-24-16(23)13-2-1-7-19-15(13)21-10-18-9-20-21/h1-7,9-10H,8H2