[2-[(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl] 4-(1,2,4-triazol-1-ylmethyl)benzoate

Systemtic Name: [2-[(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl] 4-(1,2,4-triazol-1-ylmethyl)benzoate Openeye Name: [2-(4-ethoxyanilino)-2-oxo-ethyl] 4-(1,2,4-triazol-1-ylmethyl)benzoate CAS Name: 4-(1,2,4-triazol-1-ylmethyl)benzoic acid [2-(4-ethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-ethoxyanilino)-2-oxoethyl] 4-(1,2,4-triazol-1-ylmethyl)benzoate Traditional Name: 4-(1,2,4-triazol-1-ylmethyl)benzoic acid [2-keto-2-(p-phenetidino)ethyl] ester Formula: C20H20N4O4 MolecularWeight: 380.3972

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=C(C=C2)CN3C=NC=N3

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=C(C=C2)CN3C=NC=N3

InChI

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