4-[3-(3-nitro-2-oxidanyl-4-oxidanylidene-chromen-7-yl)oxy-2-oxidanyl-propoxy]benzoic acid

Systemtic Name: 4-[3-(3-nitro-2-oxidanyl-4-oxidanylidene-chromen-7-yl)oxy-2-oxidanyl-propoxy]benzoic acid Openeye Name: 4-[2-hydroxy-3-(2-hydroxy-3-nitro-4-oxo-chromen-7-yl)oxy-propoxy]benzoic acid CAS Name: 4-[2-hydroxy-3-[(2-hydroxy-3-nitro-4-oxo-1-benzopyran-7-yl)oxy]propoxy]benzoic acid IUPAC Name: 4-[2-hydroxy-3-(2-hydroxy-3-nitro-4-oxochromen-7-yl)oxypropoxy]benzoic acid Traditional Name: 4-[2-hydroxy-3-(2-hydroxy-4-keto-3-nitro-chromen-7-yl)oxy-propoxy]benzoic acid Formula: C19H15NO10 MolecularWeight: 417.3231

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)OCC(COC2=CC3=C(C=C2)C(=O)C(=C(O3)O)[N+](=O)[O-])O

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)OCC(COC2=CC3=C(C=C2)C(=O)C(=C(O3)O)[N+](=O)[O-])O

InChI

InChI=1S/C19H15NO10/c21-11(8-28-12-3-1-10(2-4-12)18(23)24)9-29-13-5-6-14-15(7-13)30-19(25)16(17(14)22)20(26)27/h1-7,11,21,25H,8-9H2,(H,23,24)