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

Systemtic Name: methyl 1-[6-[(5-chloranyl-2,4-dimethoxy-phenyl)amino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: methyl 1-[6-(5-chloro-2,4-dimethoxy-anilino)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-(5-chloro-2,4-dimethoxyanilino)-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[6-(5-chloro-2,4-dimethoxyanilino)-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-(5-chloro-2,4-dimethoxy-anilino)-5-nitro-pyrimidin-4-yl]isonipecotic acid methyl ester Formula: C19H22ClN5O6 MolecularWeight: 451.86088

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)C(=O)OC)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1NC2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)C(=O)OC)Cl)OC

InChI

InChI=1S/C19H22ClN5O6/c1-29-14-9-15(30-2)13(8-12(14)20)23-17-16(25(27)28)18(22-10-21-17)24-6-4-11(5-7-24)19(26)31-3/h8-11H,4-7H2,1-3H3,(H,21,22,23)