methyl 4-(5-oxidanylidene-1H-1,2,4-triazol-4-yl)cyclohexane-1-carboxylate

Systemtic Name: methyl 4-(5-oxidanylidene-1H-1,2,4-triazol-4-yl)cyclohexane-1-carboxylate Openeye Name: methyl 4-(5-oxo-1H-1,2,4-triazol-4-yl)cyclohexanecarboxylate CAS Name: 4-(5-oxo-1H-1,2,4-triazol-4-yl)-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-(5-oxo-1H-1,2,4-triazol-4-yl)cyclohexane-1-carboxylate Traditional Name: 4-(5-keto-1H-1,2,4-triazol-4-yl)cyclohexanecarboxylic acid methyl ester Formula: C10H15N3O3 MolecularWeight: 225.2444

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC(CC1)N2C=NNC2=O

Isomeric SMILES

COC(=O)C1CCC(CC1)N2C=NNC2=O

InChI

InChI=1S/C10H15N3O3/c1-16-9(14)7-2-4-8(5-3-7)13-6-11-12-10(13)15/h6-8H,2-5H2,1H3,(H,12,15)