ethyl 2-(3-chloranyl-4-methyl-phenyl)-3-oxidanylidene-1H-1,2,4-triazole-5-carboxylate

Systemtic Name: ethyl 2-(3-chloranyl-4-methyl-phenyl)-3-oxidanylidene-1H-1,2,4-triazole-5-carboxylate Openeye Name: ethyl 2-(3-chloro-4-methyl-phenyl)-3-oxo-1H-1,2,4-triazole-5-carboxylate CAS Name: 2-(3-chloro-4-methylphenyl)-3-oxo-1H-1,2,4-triazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(3-chloro-4-methylphenyl)-3-oxo-1H-1,2,4-triazole-5-carboxylate Traditional Name: 2-(3-chloro-4-methyl-phenyl)-3-keto-1H-1,2,4-triazole-5-carboxylic acid ethyl ester Formula: C12H12ClN3O3 MolecularWeight: 281.69498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12ClN3O3/c1-3-19-11(17)10-14-12(18)16(15-10)8-5-4-7(2)9(13)6-8/h4-6H,3H2,1-2H3,(H,14,15,18)