methyl 1-[5-nitro-6-(2-pyridin-4-ylcarbonylhydrazinyl)pyrimidin-4-yl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[5-nitro-6-(2-pyridin-4-ylcarbonylhydrazinyl)pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: methyl 1-[5-nitro-6-[2-(pyridine-4-carbonyl)hydrazino]pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[5-nitro-6-[[oxo(pyridin-4-yl)methyl]hydrazo]-4-pyrimidinyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[5-nitro-6-[2-(pyridine-4-carbonyl)hydrazinyl]pyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-(N'-isonicotinoylhydrazino)-5-nitro-pyrimidin-4-yl]isonipecotic acid methyl ester Formula: C17H19N7O5 MolecularWeight: 401.37666

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NNC(=O)C3=CC=NC=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NNC(=O)C3=CC=NC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H19N7O5/c1-29-17(26)12-4-8-23(9-5-12)15-13(24(27)28)14(19-10-20-15)21-22-16(25)11-2-6-18-7-3-11/h2-3,6-7,10,12H,4-5,8-9H2,1H3,(H,22,25)(H,19,20,21)