propan-2-yl 2-[3,5-bis(chloranyl)phenyl]-3-oxidanylidene-1H-1,2,4-triazole-5-carboxylate

Systemtic Name: propan-2-yl 2-[3,5-bis(chloranyl)phenyl]-3-oxidanylidene-1H-1,2,4-triazole-5-carboxylate Openeye Name: isopropyl 2-(3,5-dichlorophenyl)-3-oxo-1H-1,2,4-triazole-5-carboxylate CAS Name: 2-(3,5-dichlorophenyl)-3-oxo-1H-1,2,4-triazole-5-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-(3,5-dichlorophenyl)-3-oxo-1H-1,2,4-triazole-5-carboxylate Traditional Name: 2-(3,5-dichlorophenyl)-3-keto-1H-1,2,4-triazole-5-carboxylic acid isopropyl ester Formula: C12H11Cl2N3O3 MolecularWeight: 316.14004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=NC(=O)N(N1)C2=CC(=CC(=C2)Cl)Cl

Isomeric SMILES

CC(C)OC(=O)C1=NC(=O)N(N1)C2=CC(=CC(=C2)Cl)Cl

InChI

InChI=1S/C12H11Cl2N3O3/c1-6(2)20-11(18)10-15-12(19)17(16-10)9-4-7(13)3-8(14)5-9/h3-6H,1-2H3,(H,15,16,19)