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

Systemtic Name: 1-[6-[(5-chloranyl-2,4-dimethoxy-phenyl)amino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid Openeye Name: 1-[6-(5-chloro-2,4-dimethoxy-anilino)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid CAS Name: 1-[6-(5-chloro-2,4-dimethoxyanilino)-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[6-(5-chloro-2,4-dimethoxyanilino)-5-nitropyrimidin-4-yl]piperidine-4-carboxylic acid Traditional Name: 1-[6-(5-chloro-2,4-dimethoxy-anilino)-5-nitro-pyrimidin-4-yl]isonipecotic acid Formula: C18H20ClN5O6 MolecularWeight: 437.8343

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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)O)Cl)OC

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClN5O6/c1-29-13-8-14(30-2)12(7-11(13)19)22-16-15(24(27)28)17(21-9-20-16)23-5-3-10(4-6-23)18(25)26/h7-10H,3-6H2,1-2H3,(H,25,26)(H,20,21,22)