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

Systemtic Name: 1-[5-nitro-6-[(4-phenyldiazenylphenyl)amino]pyrimidin-4-yl]piperidine-4-carboxylic acid Openeye Name: 1-[5-nitro-6-(4-phenylazoanilino)pyrimidin-4-yl]piperidine-4-carboxylic acid CAS Name: 1-[5-nitro-6-(4-phenyldiazenylanilino)-4-pyrimidinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[5-nitro-6-(4-phenyldiazenylanilino)pyrimidin-4-yl]piperidine-4-carboxylic acid Traditional Name: 1-[5-nitro-6-(4-phenylazoanilino)pyrimidin-4-yl]isonipecotic acid Formula: C22H21N7O4 MolecularWeight: 447.44664

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C2=C(C(=NC=N2)NC3=CC=C(C=C3)N=NC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)O)C2=C(C(=NC=N2)NC3=CC=C(C=C3)N=NC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H21N7O4/c30-22(31)15-10-12-28(13-11-15)21-19(29(32)33)20(23-14-24-21)25-16-6-8-18(9-7-16)27-26-17-4-2-1-3-5-17/h1-9,14-15H,10-13H2,(H,30,31)(H,23,24,25)