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

Systemtic Name: methyl 1-[5-nitro-6-(2-phenylhydrazinyl)pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: methyl 1-[5-nitro-6-(2-phenylhydrazino)pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[5-nitro-6-(phenylhydrazo)-4-pyrimidinyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[5-nitro-6-(2-phenylhydrazinyl)pyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[5-nitro-6-(N'-phenylhydrazino)pyrimidin-4-yl]isonipecotic acid methyl ester Formula: C17H20N6O4 MolecularWeight: 372.3785

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NNC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NNC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H20N6O4/c1-27-17(24)12-7-9-22(10-8-12)16-14(23(25)26)15(18-11-19-16)21-20-13-5-3-2-4-6-13/h2-6,11-12,20H,7-10H2,1H3,(H,18,19,21)