1-[4-(4-methyl-6-oxidanylidene-4,5-dihydro-1H-pyridazin-3-yl)-2-nitro-phenyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[4-(4-methyl-6-oxidanylidene-4,5-dihydro-1H-pyridazin-3-yl)-2-nitro-phenyl]piperidine-4-carboxylic acid Openeye Name: 1-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-2-nitro-phenyl]piperidine-4-carboxylic acid CAS Name: 1-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-2-nitrophenyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-2-nitrophenyl]piperidine-4-carboxylic acid Traditional Name: 1-[4-(6-keto-4-methyl-4,5-dihydro-1H-pyridazin-3-yl)-2-nitro-phenyl]isonipecotic acid Formula: C17H20N4O5 MolecularWeight: 360.3645

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NN=C1C2=CC(=C(C=C2)N3CCC(CC3)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1CC(=O)NN=C1C2=CC(=C(C=C2)N3CCC(CC3)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C17H20N4O5/c1-10-8-15(22)18-19-16(10)12-2-3-13(14(9-12)21(25)26)20-6-4-11(5-7-20)17(23)24/h2-3,9-11H,4-8H2,1H3,(H,18,22)(H,23,24)