3-nitro-4-[(6-oxidanyl-6-oxidanylidene-hexyl)amino]benzoic acid

Systemtic Name: 3-nitro-4-[(6-oxidanyl-6-oxidanylidene-hexyl)amino]benzoic acid Openeye Name: 4-[(6-hydroxy-6-oxo-hexyl)amino]-3-nitro-benzoic acid CAS Name: 4-[(6-hydroxy-6-oxohexyl)amino]-3-nitrobenzoic acid IUPAC Name: 4-[(6-hydroxy-6-oxohexyl)amino]-3-nitrobenzoic acid Traditional Name: 4-[(6-hydroxy-6-keto-hexyl)amino]-3-nitro-benzoic acid Formula: C13H16N2O6 MolecularWeight: 296.27594

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])NCCCCCC(=O)O

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])NCCCCCC(=O)O

InChI

InChI=1S/C13H16N2O6/c16-12(17)4-2-1-3-7-14-10-6-5-9(13(18)19)8-11(10)15(20)21/h5-6,8,14H,1-4,7H2,(H,16,17)(H,18,19)