3-(2,4-dichlorophenyl)-6,6-dimethyl-5-oxidanylidene-4-(1,2,4-triazol-1-yl)heptanoic acid

Systemtic Name: 3-(2,4-dichlorophenyl)-6,6-dimethyl-5-oxidanylidene-4-(1,2,4-triazol-1-yl)heptanoic acid Openeye Name: 3-(2,4-dichlorophenyl)-6,6-dimethyl-5-oxo-4-(1,2,4-triazol-1-yl)heptanoic acid CAS Name: 3-(2,4-dichlorophenyl)-6,6-dimethyl-5-oxo-4-(1,2,4-triazol-1-yl)heptanoic acid IUPAC Name: 3-(2,4-dichlorophenyl)-6,6-dimethyl-5-oxo-4-(1,2,4-triazol-1-yl)heptanoic acid Traditional Name: 3-(2,4-dichlorophenyl)-5-keto-6,6-dimethyl-4-(1,2,4-triazol-1-yl)enanthic acid Formula: C17H19Cl2N3O3 MolecularWeight: 384.25706

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C(C(CC(=O)O)C1=C(C=C(C=C1)Cl)Cl)N2C=NC=N2

Isomeric SMILES

CC(C)(C)C(=O)C(C(CC(=O)O)C1=C(C=C(C=C1)Cl)Cl)N2C=NC=N2

InChI

InChI=1S/C17H19Cl2N3O3/c1-17(2,3)16(25)15(22-9-20-8-21-22)12(7-14(23)24)11-5-4-10(18)6-13(11)19/h4-6,8-9,12,15H,7H2,1-3H3,(H,23,24)