(5-methyl-3-oxidanylidene-cyclohexen-1-yl) 2-chloranyl-4-(1,2,4-triazol-1-yl)benzoate

Systemtic Name: (5-methyl-3-oxidanylidene-cyclohexen-1-yl) 2-chloranyl-4-(1,2,4-triazol-1-yl)benzoate Openeye Name: (5-methyl-3-oxo-cyclohexen-1-yl) 2-chloro-4-(1,2,4-triazol-1-yl)benzoate CAS Name: 2-chloro-4-(1,2,4-triazol-1-yl)benzoic acid (5-methyl-3-oxo-1-cyclohexenyl) ester IUPAC Name: (5-methyl-3-oxocyclohexen-1-yl) 2-chloro-4-(1,2,4-triazol-1-yl)benzoate Traditional Name: 2-chloro-4-(1,2,4-triazol-1-yl)benzoic acid (3-keto-5-methyl-cyclohexen-1-yl) ester Formula: C16H14ClN3O3 MolecularWeight: 331.75366

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=CC(=O)C1)OC(=O)C2=C(C=C(C=C2)N3C=NC=N3)Cl

Isomeric SMILES

CC1CC(=CC(=O)C1)OC(=O)C2=C(C=C(C=C2)N3C=NC=N3)Cl

InChI

InChI=1S/C16H14ClN3O3/c1-10-4-12(21)7-13(5-10)23-16(22)14-3-2-11(6-15(14)17)20-9-18-8-19-20/h2-3,6-10H,4-5H2,1H3