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

Systemtic Name: [2-methoxy-4-[(E)-1,2,4-triazol-4-yliminomethyl]phenyl] 4-methoxybenzoate Openeye Name: [2-methoxy-4-[(E)-1,2,4-triazol-4-yliminomethyl]phenyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic 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] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [2-methoxy-4-[(E)-1,2,4-triazol-4-yliminomethyl]phenyl] ester Formula: C18H16N4O4 MolecularWeight: 352.34404

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C=NN3C=NN=C3)OC

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)/C=N/N3C=NN=C3)OC

InChI

InChI=1S/C18H16N4O4/c1-24-15-6-4-14(5-7-15)18(23)26-16-8-3-13(9-17(16)25-2)10-21-22-11-19-20-12-22/h3-12H,1-2H3/b21-10+