3-nitro-6-oxidanyl-2-[(8E)-8-(pyridin-4-ylcarbonylhydrazinylidene)octyl]benzoic acid

Systemtic Name: 3-nitro-6-oxidanyl-2-[(8E)-8-(pyridin-4-ylcarbonylhydrazinylidene)octyl]benzoic acid Openeye Name: 6-hydroxy-3-nitro-2-[(8E)-8-(pyridine-4-carbonylhydrazono)octyl]benzoic acid CAS Name: 6-hydroxy-3-nitro-2-[(8E)-8-[[oxo(pyridin-4-yl)methyl]hydrazinylidene]octyl]benzoic acid IUPAC Name: 6-hydroxy-3-nitro-2-[(8E)-8-(pyridine-4-carbonylhydrazinylidene)octyl]benzoic acid Traditional Name: 6-hydroxy-2-[(8E)-8-(isonicotinoylhydrazono)octyl]-3-nitro-benzoic acid Formula: C21H24N4O6 MolecularWeight: 428.43846

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1[N+](=O)[O-])CCCCCCCC=NNC(=O)C2=CC=NC=C2)C(=O)O)O

Isomeric SMILES

C1=CC(=C(C(=C1[N+](=O)[O-])CCCCCCC/C=N/NC(=O)C2=CC=NC=C2)C(=O)O)O

InChI

InChI=1S/C21H24N4O6/c26-18-9-8-17(25(30)31)16(19(18)21(28)29)7-5-3-1-2-4-6-12-23-24-20(27)15-10-13-22-14-11-15/h8-14,26H,1-7H2,(H,24,27)(H,28,29)/b23-12+