methyl 3-[4-(5-oxidanylidene-1H-1,2,4-triazol-4-yl)cyclohexyl]propanoate

Systemtic Name: methyl 3-[4-(5-oxidanylidene-1H-1,2,4-triazol-4-yl)cyclohexyl]propanoate Openeye Name: methyl 3-[4-(5-oxo-1H-1,2,4-triazol-4-yl)cyclohexyl]propanoate CAS Name: 3-[4-(5-oxo-1H-1,2,4-triazol-4-yl)cyclohexyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-(5-oxo-1H-1,2,4-triazol-4-yl)cyclohexyl]propanoate Traditional Name: 3-[4-(5-keto-1H-1,2,4-triazol-4-yl)cyclohexyl]propionic acid methyl ester Formula: C12H19N3O3 MolecularWeight: 253.29756

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1CCC(CC1)N2C=NNC2=O

Isomeric SMILES

COC(=O)CCC1CCC(CC1)N2C=NNC2=O

InChI

InChI=1S/C12H19N3O3/c1-18-11(16)7-4-9-2-5-10(6-3-9)15-8-13-14-12(15)17/h8-10H,2-7H2,1H3,(H,14,17)