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

Systemtic Name: (5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl) 2-chloranyl-4-(1,2,4-triazol-1-yl)benzoate Openeye Name: (5,5-dimethyl-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 (5,5-dimethyl-3-oxo-1-cyclohexenyl) ester IUPAC Name: (5,5-dimethyl-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-5,5-dimethyl-cyclohexen-1-yl) ester Formula: C17H16ClN3O3 MolecularWeight: 345.78024

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=CC(=O)C1)OC(=O)C2=C(C=C(C=C2)N3C=NC=N3)Cl)C

Isomeric SMILES

CC1(CC(=CC(=O)C1)OC(=O)C2=C(C=C(C=C2)N3C=NC=N3)Cl)C

InChI

InChI=1S/C17H16ClN3O3/c1-17(2)7-12(22)6-13(8-17)24-16(23)14-4-3-11(5-15(14)18)21-10-19-9-20-21/h3-6,9-10H,7-8H2,1-2H3