3-[[2-methoxy-4-[(Z)-1,2,4-triazol-4-yliminomethyl]phenoxy]methyl]benzoic acid

Systemtic Name: 3-[[2-methoxy-4-[(Z)-1,2,4-triazol-4-yliminomethyl]phenoxy]methyl]benzoic acid Openeye Name: 3-[[2-methoxy-4-[(Z)-1,2,4-triazol-4-yliminomethyl]phenoxy]methyl]benzoic acid CAS Name: 3-[[2-methoxy-4-[(Z)-1,2,4-triazol-4-yliminomethyl]phenoxy]methyl]benzoic acid IUPAC Name: 3-[[2-methoxy-4-[(Z)-1,2,4-triazol-4-yliminomethyl]phenoxy]methyl]benzoic acid Traditional Name: 3-[[2-methoxy-4-[(Z)-1,2,4-triazol-4-yliminomethyl]phenoxy]methyl]benzoic acid Formula: C18H16N4O4 MolecularWeight: 352.34404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=C(C=CC(=C1)/C=N\N2C=NN=C2)OCC3=CC=CC(=C3)C(=O)O

InChI

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