methyl 1-[5-nitro-6-[(3-nitrophenyl)amino]pyrimidin-4-yl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[5-nitro-6-[(3-nitrophenyl)amino]pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: methyl 1-[5-nitro-6-(3-nitroanilino)pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[5-nitro-6-(3-nitroanilino)-4-pyrimidinyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[5-nitro-6-(3-nitroanilino)pyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[5-nitro-6-(3-nitroanilino)pyrimidin-4-yl]isonipecotic acid methyl ester Formula: C17H18N6O6 MolecularWeight: 402.36142

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NC3=CC(=CC=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NC3=CC(=CC=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H18N6O6/c1-29-17(24)11-5-7-21(8-6-11)16-14(23(27)28)15(18-10-19-16)20-12-3-2-4-13(9-12)22(25)26/h2-4,9-11H,5-8H2,1H3,(H,18,19,20)