1-[6-(4-methoxyphenyl)-5-oxidanylidene-2H-1,2,4-triazin-3-yl]piperidine-4-carboxylate

Systemtic Name: 1-[6-(4-methoxyphenyl)-5-oxidanylidene-2H-1,2,4-triazin-3-yl]piperidine-4-carboxylate Openeye Name: 1-[6-(4-methoxyphenyl)-5-oxo-2H-1,2,4-triazin-3-yl]piperidine-4-carboxylate CAS Name: 1-[6-(4-methoxyphenyl)-5-oxo-2H-1,2,4-triazin-3-yl]-4-piperidinecarboxylate IUPAC Name: 1-[6-(4-methoxyphenyl)-5-oxo-2H-1,2,4-triazin-3-yl]piperidine-4-carboxylate Traditional Name: 1-[5-keto-6-(4-methoxyphenyl)-2H-1,2,4-triazin-3-yl]isonipecotate Formula: C16H17N4O4- MolecularWeight: 329.33058

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NNC(=NC2=O)N3CCC(CC3)C(=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=NNC(=NC2=O)N3CCC(CC3)C(=O)[O-]

InChI

InChI=1S/C16H18N4O4/c1-24-12-4-2-10(3-5-12)13-14(21)17-16(19-18-13)20-8-6-11(7-9-20)15(22)23/h2-5,11H,6-9H2,1H3,(H,22,23)(H,17,19,21)/p-1