[2-methoxy-4-[(E)-1,2,4-triazol-4-yliminomethyl]phenyl] pyridine-4-carboxylate

Systemtic Name: [2-methoxy-4-[(E)-1,2,4-triazol-4-yliminomethyl]phenyl] pyridine-4-carboxylate Openeye Name: [2-methoxy-4-[(E)-1,2,4-triazol-4-yliminomethyl]phenyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [2-methoxy-4-[(E)-1,2,4-triazol-4-yliminomethyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-1,2,4-triazol-4-yliminomethyl]phenyl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [2-methoxy-4-[(E)-1,2,4-triazol-4-yliminomethyl]phenyl] ester Formula: C16H13N5O3 MolecularWeight: 323.30612

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=NN2C=NN=C2)OC(=O)C3=CC=NC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)/C=N/N2C=NN=C2)OC(=O)C3=CC=NC=C3

InChI

InChI=1S/C16H13N5O3/c1-23-15-8-12(9-20-21-10-18-19-11-21)2-3-14(15)24-16(22)13-4-6-17-7-5-13/h2-11H,1H3/b20-9+