2-[(6-butyl-3-nitro-2-oxidanyl-4-oxidanylidene-pyridin-1-yl)methyl]-6-phenyl-benzoic acid

Systemtic Name: 2-[(6-butyl-3-nitro-2-oxidanyl-4-oxidanylidene-pyridin-1-yl)methyl]-6-phenyl-benzoic acid Openeye Name: 2-[(6-butyl-2-hydroxy-3-nitro-4-oxo-1-pyridyl)methyl]-6-phenyl-benzoic acid CAS Name: 2-[(6-butyl-2-hydroxy-3-nitro-4-oxo-1-pyridinyl)methyl]-6-phenylbenzoic acid IUPAC Name: 2-[(6-butyl-2-hydroxy-3-nitro-4-oxopyridin-1-yl)methyl]-6-phenylbenzoic acid Traditional Name: 2-[(6-butyl-2-hydroxy-4-keto-3-nitro-1-pyridyl)methyl]-6-phenyl-benzoic acid Formula: C23H22N2O6 MolecularWeight: 422.43058

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)C(=C(N1CC2=CC=CC(=C2C(=O)O)C3=CC=CC=C3)O)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC(=O)C(=C(N1CC2=CC=CC(=C2C(=O)O)C3=CC=CC=C3)O)[N+](=O)[O-]

InChI

InChI=1S/C23H22N2O6/c1-2-3-11-17-13-19(26)21(25(30)31)22(27)24(17)14-16-10-7-12-18(20(16)23(28)29)15-8-5-4-6-9-15/h4-10,12-13,27H,2-3,11,14H2,1H3,(H,28,29)