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

Systemtic Name: methyl 1-[6-[(2,4-dimethoxyphenyl)amino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: methyl 1-[6-(2,4-dimethoxyanilino)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-(2,4-dimethoxyanilino)-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[6-(2,4-dimethoxyanilino)-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-(2,4-dimethoxyanilino)-5-nitro-pyrimidin-4-yl]isonipecotic acid methyl ester Formula: C19H23N5O6 MolecularWeight: 417.41582

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)C(=O)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)C(=O)OC)OC

InChI

InChI=1S/C19H23N5O6/c1-28-13-4-5-14(15(10-13)29-2)22-17-16(24(26)27)18(21-11-20-17)23-8-6-12(7-9-23)19(25)30-3/h4-5,10-12H,6-9H2,1-3H3,(H,20,21,22)