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

Systemtic Name: [2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl] 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate Openeye Name: [2-(4-bromoanilino)-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-bromoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromoanilino)-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-bromoanilino)-2-keto-ethyl] ester Formula: C16H12BrN5O3 MolecularWeight: 402.20218

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)N2C=NC=N2)C(=O)OCC(=O)NC3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC(=C(N=C1)N2C=NC=N2)C(=O)OCC(=O)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C16H12BrN5O3/c17-11-3-5-12(6-4-11)21-14(23)8-25-16(24)13-2-1-7-19-15(13)22-10-18-9-20-22/h1-7,9-10H,8H2,(H,21,23)