1-[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]piperidine-3-carboxylic acid

Systemtic Name: 1-[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]piperidine-3-carboxylic acid Openeye Name: 1-[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]piperidine-3-carboxylic acid CAS Name: 1-[2-(4-chloroanilino)-5-nitro-4-pyrimidinyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[2-(4-chloroanilino)-5-nitropyrimidin-4-yl]piperidine-3-carboxylic acid Traditional Name: 1-[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]nipecotic acid Formula: C16H16ClN5O4 MolecularWeight: 377.78234

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C16H16ClN5O4/c17-11-3-5-12(6-4-11)19-16-18-8-13(22(25)26)14(20-16)21-7-1-2-10(9-21)15(23)24/h3-6,8,10H,1-2,7,9H2,(H,23,24)(H,18,19,20)