1-[6-(3-nitrophenyl)pyridazin-3-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[6-(3-nitrophenyl)pyridazin-3-yl]piperidine-4-carboxylic acid Openeye Name: 1-[6-(3-nitrophenyl)pyridazin-3-yl]piperidine-4-carboxylic acid CAS Name: 1-[6-(3-nitrophenyl)-3-pyridazinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[6-(3-nitrophenyl)pyridazin-3-yl]piperidine-4-carboxylic acid Traditional Name: 1-[6-(3-nitrophenyl)pyridazin-3-yl]isonipecotic acid Formula: C16H16N4O4 MolecularWeight: 328.32264

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C2=NN=C(C=C2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)O)C2=NN=C(C=C2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H16N4O4/c21-16(22)11-6-8-19(9-7-11)15-5-4-14(17-18-15)12-2-1-3-13(10-12)20(23)24/h1-5,10-11H,6-9H2,(H,21,22)