[1-[(4-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(1,2,4-triazol-1-ylmethyl)benzoate

Systemtic Name: [1-[(4-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(1,2,4-triazol-1-ylmethyl)benzoate Openeye Name: [2-(4-methoxyanilino)-1-methyl-2-oxo-ethyl] 4-(1,2,4-triazol-1-ylmethyl)benzoate CAS Name: 4-(1,2,4-triazol-1-ylmethyl)benzoic acid [1-(4-methoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-methoxyanilino)-1-oxopropan-2-yl] 4-(1,2,4-triazol-1-ylmethyl)benzoate Traditional Name: 4-(1,2,4-triazol-1-ylmethyl)benzoic acid [2-keto-1-methyl-2-(p-anisidino)ethyl] ester Formula: C20H20N4O4 MolecularWeight: 380.3972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)OC)OC(=O)C2=CC=C(C=C2)CN3C=NC=N3

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)OC)OC(=O)C2=CC=C(C=C2)CN3C=NC=N3

InChI

InChI=1S/C20H20N4O4/c1-14(19(25)23-17-7-9-18(27-2)10-8-17)28-20(26)16-5-3-15(4-6-16)11-24-13-21-12-22-24/h3-10,12-14H,11H2,1-2H3,(H,23,25)