4-[[2-methoxy-4-[(E)-1,2,4-triazol-4-yliminomethyl]phenoxy]methyl]benzoate

Systemtic Name: 4-[[2-methoxy-4-[(E)-1,2,4-triazol-4-yliminomethyl]phenoxy]methyl]benzoate Openeye Name: 4-[[2-methoxy-4-[(E)-1,2,4-triazol-4-yliminomethyl]phenoxy]methyl]benzoate CAS Name: 4-[[2-methoxy-4-[(E)-1,2,4-triazol-4-yliminomethyl]phenoxy]methyl]benzoate IUPAC Name: 4-[[2-methoxy-4-[(E)-1,2,4-triazol-4-yliminomethyl]phenoxy]methyl]benzoate Traditional Name: 4-[[2-methoxy-4-[(E)-1,2,4-triazol-4-yliminomethyl]phenoxy]methyl]benzoate Formula: C18H15N4O4- MolecularWeight: 351.3361

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=NN2C=NN=C2)OCC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)/C=N/N2C=NN=C2)OCC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C18H16N4O4/c1-25-17-8-14(9-21-22-11-19-20-12-22)4-7-16(17)26-10-13-2-5-15(6-3-13)18(23)24/h2-9,11-12H,10H2,1H3,(H,23,24)/p-1/b21-9+