5-(3-nitrophenyl)-2,3,4-tris(oxidanyl)cyclohepta-2,4,6-trien-1-one

Systemtic Name: 5-(3-nitrophenyl)-2,3,4-tris(oxidanyl)cyclohepta-2,4,6-trien-1-one Openeye Name: 2,3,4-trihydroxy-5-(3-nitrophenyl)cyclohepta-2,4,6-trien-1-one CAS Name: 2,3,4-trihydroxy-5-(3-nitrophenyl)-1-cyclohepta-2,4,6-trienone IUPAC Name: 2,3,4-trihydroxy-5-(3-nitrophenyl)cyclohepta-2,4,6-trien-1-one Traditional Name: 2,3,4-trihydroxy-5-(3-nitrophenyl)cyclohepta-2,4,6-trien-1-one Formula: C13H9NO6 MolecularWeight: 275.21366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9NO6/c15-10-5-4-9(11(16)13(18)12(10)17)7-2-1-3-8(6-7)14(19)20/h1-6H,(H3,15,16,17,18)