methyl 4-cyclohexyl-5-oxidanylidene-1H-1,2,4-triazole-3-carboxylate

Systemtic Name: methyl 4-cyclohexyl-5-oxidanylidene-1H-1,2,4-triazole-3-carboxylate Openeye Name: methyl 4-cyclohexyl-5-oxo-1H-1,2,4-triazole-3-carboxylate CAS Name: 4-cyclohexyl-5-oxo-1H-1,2,4-triazole-3-carboxylic acid methyl ester IUPAC Name: methyl 4-cyclohexyl-5-oxo-1H-1,2,4-triazole-3-carboxylate Traditional Name: 4-cyclohexyl-5-keto-1H-1,2,4-triazole-3-carboxylic acid methyl ester Formula: C10H15N3O3 MolecularWeight: 225.2444

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NNC(=O)N1C2CCCCC2

Isomeric SMILES

COC(=O)C1=NNC(=O)N1C2CCCCC2

InChI

InChI=1S/C10H15N3O3/c1-16-9(14)8-11-12-10(15)13(8)7-5-3-2-4-6-7/h7H,2-6H2,1H3,(H,12,15)