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

Systemtic Name: 4-[3-(3-nitro-2-oxidanyl-4-oxidanylidene-chromen-7-yl)oxypropoxy]benzoic acid Openeye Name: 4-[3-(2-hydroxy-3-nitro-4-oxo-chromen-7-yl)oxypropoxy]benzoic acid CAS Name: 4-[3-[(2-hydroxy-3-nitro-4-oxo-1-benzopyran-7-yl)oxy]propoxy]benzoic acid IUPAC Name: 4-[3-(2-hydroxy-3-nitro-4-oxochromen-7-yl)oxypropoxy]benzoic acid Traditional Name: 4-[3-(2-hydroxy-4-keto-3-nitro-chromen-7-yl)oxypropoxy]benzoic acid Formula: C19H15NO9 MolecularWeight: 401.3237

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)OCCCOC2=CC3=C(C=C2)C(=O)C(=C(O3)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)OCCCOC2=CC3=C(C=C2)C(=O)C(=C(O3)O)[N+](=O)[O-]

InChI

InChI=1S/C19H15NO9/c21-17-14-7-6-13(10-15(14)29-19(24)16(17)20(25)26)28-9-1-8-27-12-4-2-11(3-5-12)18(22)23/h2-7,10,24H,1,8-9H2,(H,22,23)