[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate

Systemtic Name: [2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate Openeye Name: [2-(1,3-benzodioxol-5-yl)-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-(1,3-benzodioxol-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate Traditional Name: 2-(1,2,4-triazol-1-yl)nicotinic acid [2-(1,3-benzodioxol-5-yl)-2-keto-ethyl] ester Formula: C17H12N4O5 MolecularWeight: 352.30098

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)COC(=O)C3=C(N=CC=C3)N4C=NC=N4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)COC(=O)C3=C(N=CC=C3)N4C=NC=N4

InChI

InChI=1S/C17H12N4O5/c22-13(11-3-4-14-15(6-11)26-10-25-14)7-24-17(23)12-2-1-5-19-16(12)21-9-18-8-20-21/h1-6,8-9H,7,10H2