(7Z)-7-[[3-nitro-4,5-bis(oxidanyl)phenyl]methylidene]-8-oxidanylidene-nonanoic acid

Systemtic Name: (7Z)-7-[[3-nitro-4,5-bis(oxidanyl)phenyl]methylidene]-8-oxidanylidene-nonanoic acid Openeye Name: (7Z)-7-[(3,4-dihydroxy-5-nitro-phenyl)methylene]-8-oxo-nonanoic acid CAS Name: (7Z)-7-[(3,4-dihydroxy-5-nitrophenyl)methylidene]-8-oxononanoic acid IUPAC Name: (7Z)-7-[(3,4-dihydroxy-5-nitrophenyl)methylidene]-8-oxononanoic acid Traditional Name: (Z)-7-acetyl-8-(3,4-dihydroxy-5-nitro-phenyl)oct-7-enoic acid Formula: C16H19NO7 MolecularWeight: 337.32456

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CC1=CC(=C(C(=C1)O)O)[N+](=O)[O-])CCCCCC(=O)O

Isomeric SMILES

CC(=O)/C(=C\C1=CC(=C(C(=C1)O)O)[N+](=O)[O-])/CCCCCC(=O)O

InChI

InChI=1S/C16H19NO7/c1-10(18)12(5-3-2-4-6-15(20)21)7-11-8-13(17(23)24)16(22)14(19)9-11/h7-9,19,22H,2-6H2,1H3,(H,20,21)/b12-7-