[2-(4-ethylphenyl)-2-oxidanylidene-ethyl] 4-(1,2,4-triazol-1-yl)benzoate

Systemtic Name: [2-(4-ethylphenyl)-2-oxidanylidene-ethyl] 4-(1,2,4-triazol-1-yl)benzoate Openeye Name: [2-(4-ethylphenyl)-2-oxo-ethyl] 4-(1,2,4-triazol-1-yl)benzoate CAS Name: 4-(1,2,4-triazol-1-yl)benzoic acid [2-(4-ethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-ethylphenyl)-2-oxoethyl] 4-(1,2,4-triazol-1-yl)benzoate Traditional Name: 4-(1,2,4-triazol-1-yl)benzoic acid [2-(4-ethylphenyl)-2-keto-ethyl] ester Formula: C19H17N3O3 MolecularWeight: 335.35658

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)N3C=NC=N3

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)N3C=NC=N3

InChI

InChI=1S/C19H17N3O3/c1-2-14-3-5-15(6-4-14)18(23)11-25-19(24)16-7-9-17(10-8-16)22-13-20-12-21-22/h3-10,12-13H,2,11H2,1H3