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

Systemtic Name: ethyl 1-[6-[(4-methoxycarbonylphenyl)amino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 1-[6-(4-methoxycarbonylanilino)-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-(4-carbomethoxyanilino)-5-nitro-pyrimidin-4-yl]isonipecotic acid ethyl ester Formula: C20H23N5O6 MolecularWeight: 429.42652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N5O6/c1-3-31-20(27)14-8-10-24(11-9-14)18-16(25(28)29)17(21-12-22-18)23-15-6-4-13(5-7-15)19(26)30-2/h4-7,12,14H,3,8-11H2,1-2H3,(H,21,22,23)