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

Systemtic Name: 1-[6-[(2,4-dimethoxyphenyl)amino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid Openeye Name: 1-[6-(2,4-dimethoxyanilino)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid CAS Name: 1-[6-(2,4-dimethoxyanilino)-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[6-(2,4-dimethoxyanilino)-5-nitropyrimidin-4-yl]piperidine-4-carboxylic acid Traditional Name: 1-[6-(2,4-dimethoxyanilino)-5-nitro-pyrimidin-4-yl]isonipecotic acid Formula: C18H21N5O6 MolecularWeight: 403.38924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N5O6/c1-28-12-3-4-13(14(9-12)29-2)21-16-15(23(26)27)17(20-10-19-16)22-7-5-11(6-8-22)18(24)25/h3-4,9-11H,5-8H2,1-2H3,(H,24,25)(H,19,20,21)