4-[2-[3-nitro-4,5-bis(oxidanyl)phenyl]-2-oxidanylidene-ethyl]benzoic acid

Systemtic Name: 4-[2-[3-nitro-4,5-bis(oxidanyl)phenyl]-2-oxidanylidene-ethyl]benzoic acid Openeye Name: 4-[2-(3,4-dihydroxy-5-nitro-phenyl)-2-oxo-ethyl]benzoic acid CAS Name: 4-[2-(3,4-dihydroxy-5-nitrophenyl)-2-oxoethyl]benzoic acid IUPAC Name: 4-[2-(3,4-dihydroxy-5-nitrophenyl)-2-oxoethyl]benzoic acid Traditional Name: 4-[2-(3,4-dihydroxy-5-nitro-phenyl)-2-keto-ethyl]benzoic acid Formula: C15H11NO7 MolecularWeight: 317.25034

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CC(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C15H11NO7/c17-12(5-8-1-3-9(4-2-8)15(20)21)10-6-11(16(22)23)14(19)13(18)7-10/h1-4,6-7,18-19H,5H2,(H,20,21)