1-[5-nitro-6-[[4-(trifluoromethyl)phenyl]amino]pyrimidin-4-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[5-nitro-6-[[4-(trifluoromethyl)phenyl]amino]pyrimidin-4-yl]piperidine-4-carboxylic acid Openeye Name: 1-[5-nitro-6-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]piperidine-4-carboxylic acid CAS Name: 1-[5-nitro-6-[4-(trifluoromethyl)anilino]-4-pyrimidinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[5-nitro-6-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]piperidine-4-carboxylic acid Traditional Name: 1-[5-nitro-6-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]isonipecotic acid Formula: C17H16F3N5O4 MolecularWeight: 411.33525

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C2=C(C(=NC=N2)NC3=CC=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)O)C2=C(C(=NC=N2)NC3=CC=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C17H16F3N5O4/c18-17(19,20)11-1-3-12(4-2-11)23-14-13(25(28)29)15(22-9-21-14)24-7-5-10(6-8-24)16(26)27/h1-4,9-10H,5-8H2,(H,26,27)(H,21,22,23)