[1-(3-chlorophenyl)-1-oxidanylidene-propan-2-yl] 4-(1,2,4-triazol-1-yl)benzoate

Systemtic Name: [1-(3-chlorophenyl)-1-oxidanylidene-propan-2-yl] 4-(1,2,4-triazol-1-yl)benzoate Openeye Name: [2-(3-chlorophenyl)-1-methyl-2-oxo-ethyl] 4-(1,2,4-triazol-1-yl)benzoate CAS Name: 4-(1,2,4-triazol-1-yl)benzoic acid [1-(3-chlorophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-chlorophenyl)-1-oxopropan-2-yl] 4-(1,2,4-triazol-1-yl)benzoate Traditional Name: 4-(1,2,4-triazol-1-yl)benzoic acid [2-(3-chlorophenyl)-2-keto-1-methyl-ethyl] ester Formula: C18H14ClN3O3 MolecularWeight: 355.77506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14ClN3O3/c1-12(17(23)14-3-2-4-15(19)9-14)25-18(24)13-5-7-16(8-6-13)22-11-20-10-21-22/h2-12H,1H3