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

Systemtic Name: methyl 1-[6-[(2-methoxycarbonylphenyl)-methyl-amino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: methyl 1-[6-(2-methoxycarbonyl-N-methyl-anilino)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-(2-methoxycarbonyl-N-methylanilino)-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[6-(2-methoxycarbonyl-N-methylanilino)-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-(2-carbomethoxy-N-methyl-anilino)-5-nitro-pyrimidin-4-yl]isonipecotic acid methyl ester Formula: C20H23N5O6 MolecularWeight: 429.42652

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1C(=O)OC)C2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)C(=O)OC

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)OC)C2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)C(=O)OC

InChI

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