4-[[5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidin-4-yl]amino]benzoic acid

Systemtic Name: 4-[[5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidin-4-yl]amino]benzoic acid Openeye Name: 4-[[6-(4-benzyl-1-piperidyl)-5-nitro-pyrimidin-4-yl]amino]benzoic acid CAS Name: 4-[[5-nitro-6-[4-(phenylmethyl)-1-piperidinyl]-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[[6-(4-benzylpiperidin-1-yl)-5-nitropyrimidin-4-yl]amino]benzoic acid Traditional Name: 4-[[6-(4-benzylpiperidino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid Formula: C23H23N5O4 MolecularWeight: 433.45982

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C3=C(C(=NC=N3)NC4=CC=C(C=C4)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C3=C(C(=NC=N3)NC4=CC=C(C=C4)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C23H23N5O4/c29-23(30)18-6-8-19(9-7-18)26-21-20(28(31)32)22(25-15-24-21)27-12-10-17(11-13-27)14-16-4-2-1-3-5-16/h1-9,15,17H,10-14H2,(H,29,30)(H,24,25,26)