4-[[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]-methyl-amino]piperidine-4-carboxylic acid

Systemtic Name: 4-[[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]-methyl-amino]piperidine-4-carboxylic acid Openeye Name: 4-[[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]-methyl-amino]piperidine-4-carboxylic acid CAS Name: 4-[[2-(4-chloroanilino)-5-nitro-4-pyrimidinyl]-methylamino]-4-piperidinecarboxylic acid IUPAC Name: 4-[[2-(4-chloroanilino)-5-nitropyrimidin-4-yl]-methylamino]piperidine-4-carboxylic acid Traditional Name: 4-[[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]-methyl-amino]isonipecotic acid Formula: C17H19ClN6O4 MolecularWeight: 406.82356

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=NC(=NC=C1[N+](=O)[O-])NC2=CC=C(C=C2)Cl)C3(CCNCC3)C(=O)O

Isomeric SMILES

CN(C1=NC(=NC=C1[N+](=O)[O-])NC2=CC=C(C=C2)Cl)C3(CCNCC3)C(=O)O

InChI

InChI=1S/C17H19ClN6O4/c1-23(17(15(25)26)6-8-19-9-7-17)14-13(24(27)28)10-20-16(22-14)21-12-4-2-11(18)3-5-12/h2-5,10,19H,6-9H2,1H3,(H,25,26)(H,20,21,22)