(3-acetamidophenyl) 4-(1,2,4-triazol-1-yl)benzoate

Systemtic Name: (3-acetamidophenyl) 4-(1,2,4-triazol-1-yl)benzoate Openeye Name: (3-acetamidophenyl) 4-(1,2,4-triazol-1-yl)benzoate CAS Name: 4-(1,2,4-triazol-1-yl)benzoic acid (3-acetamidophenyl) ester IUPAC Name: (3-acetamidophenyl) 4-(1,2,4-triazol-1-yl)benzoate Traditional Name: 4-(1,2,4-triazol-1-yl)benzoic acid (3-acetamidophenyl) ester Formula: C17H14N4O3 MolecularWeight: 322.31806

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC=C1)OC(=O)C2=CC=C(C=C2)N3C=NC=N3

Isomeric SMILES

CC(=O)NC1=CC(=CC=C1)OC(=O)C2=CC=C(C=C2)N3C=NC=N3

InChI

InChI=1S/C17H14N4O3/c1-12(22)20-14-3-2-4-16(9-14)24-17(23)13-5-7-15(8-6-13)21-11-18-10-19-21/h2-11H,1H3,(H,20,22)