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

Systemtic Name: cyclohexanamine; methyl 1-cyclohexyl-5-oxidanylidene-2H-1,2,3-triazole-4-carboxylate Openeye Name: cyclohexanamine; methyl 1-cyclohexyl-5-oxo-2H-triazole-4-carboxylate CAS Name: cyclohexanamine; 1-cyclohexyl-5-oxo-2H-triazole-4-carboxylic acid methyl ester IUPAC Name: cyclohexanamine; methyl 1-cyclohexyl-5-oxo-2H-triazole-4-carboxylate Traditional Name: cyclohexylamine; 1-cyclohexyl-5-keto-2H-triazole-4-carboxylic acid methyl ester Formula: C16H28N4O3 MolecularWeight: 324.41852

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NNN(C1=O)C2CCCCC2.C1CCC(CC1)N

Isomeric SMILES

COC(=O)C1=NNN(C1=O)C2CCCCC2.C1CCC(CC1)N

InChI

InChI=1S/C10H15N3O3.C6H13N/c1-16-10(15)8-9(14)13(12-11-8)7-5-3-2-4-6-7;7-6-4-2-1-3-5-6/h7,12H,2-6H2,1H3;6H,1-5,7H2