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

Systemtic Name: methyl 1-[6-[(4-methoxycarbonylphenyl)amino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: methyl 1-[6-(4-methoxycarbonylanilino)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-(4-methoxycarbonylanilino)-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[6-(4-methoxycarbonylanilino)-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-(4-carbomethoxyanilino)-5-nitro-pyrimidin-4-yl]isonipecotic acid methyl ester Formula: C19H21N5O6 MolecularWeight: 415.39994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N5O6/c1-29-18(25)12-3-5-14(6-4-12)22-16-15(24(27)28)17(21-11-20-16)23-9-7-13(8-10-23)19(26)30-2/h3-6,11,13H,7-10H2,1-2H3,(H,20,21,22)