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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1C[C@@H](CN(C1)C2=NN=C(C=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C16H16N4O4/c21-16(22)12-4-2-8-19(10-12)15-7-6-14(17-18-15)11-3-1-5-13(9-11)20(23)24/h1,3,5-7,9,12H,2,4,8,10H2,(H,21,22)/t12-/m0/s1