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

Systemtic Name: 2-[2-[3-nitro-4,5-bis(oxidanyl)phenyl]-2-oxidanylidene-ethyl]benzoic acid Openeye Name: 2-[2-(3,4-dihydroxy-5-nitro-phenyl)-2-oxo-ethyl]benzoic acid CAS Name: 2-[2-(3,4-dihydroxy-5-nitrophenyl)-2-oxoethyl]benzoic acid IUPAC Name: 2-[2-(3,4-dihydroxy-5-nitrophenyl)-2-oxoethyl]benzoic acid Traditional Name: 2-[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=C(C(=C1)CC(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-])C(=O)O

Isomeric SMILES

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

InChI

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