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

Systemtic Name: methyl 1-[5-nitro-6-[2-(phenylcarbonyl)hydrazinyl]pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: methyl 1-[6-(2-benzoylhydrazino)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-(benzoylhydrazo)-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[6-(2-benzoylhydrazinyl)-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-(N'-benzoylhydrazino)-5-nitro-pyrimidin-4-yl]isonipecotic acid methyl ester Formula: C18H20N6O5 MolecularWeight: 400.3886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N6O5/c1-29-18(26)13-7-9-23(10-8-13)16-14(24(27)28)15(19-11-20-16)21-22-17(25)12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3,(H,22,25)(H,19,20,21)