4-[[2-methoxy-6-[(E)-1,2,4-triazol-4-yliminomethyl]phenoxy]methyl]benzoic acid

Systemtic Name: 4-[[2-methoxy-6-[(E)-1,2,4-triazol-4-yliminomethyl]phenoxy]methyl]benzoic acid Openeye Name: 4-[[2-methoxy-6-[(E)-1,2,4-triazol-4-yliminomethyl]phenoxy]methyl]benzoic acid CAS Name: 4-[[2-methoxy-6-[(E)-1,2,4-triazol-4-yliminomethyl]phenoxy]methyl]benzoic acid IUPAC Name: 4-[[2-methoxy-6-[(E)-1,2,4-triazol-4-yliminomethyl]phenoxy]methyl]benzoic acid Traditional Name: 4-[[2-methoxy-6-[(E)-1,2,4-triazol-4-yliminomethyl]phenoxy]methyl]benzoic acid Formula: C18H16N4O4 MolecularWeight: 352.34404

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OCC2=CC=C(C=C2)C(=O)O)C=NN3C=NN=C3

Isomeric SMILES

COC1=CC=CC(=C1OCC2=CC=C(C=C2)C(=O)O)/C=N/N3C=NN=C3

InChI

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