7-butoxy-3-nitro-2-oxidanyl-chromen-4-one

Systemtic Name: 7-butoxy-3-nitro-2-oxidanyl-chromen-4-one Openeye Name: 7-butoxy-2-hydroxy-3-nitro-chromen-4-one CAS Name: 7-butoxy-2-hydroxy-3-nitro-1-benzopyran-4-one IUPAC Name: 7-butoxy-2-hydroxy-3-nitrochromen-4-one Traditional Name: 7-butoxy-2-hydroxy-3-nitro-chromone Formula: C13H13NO6 MolecularWeight: 279.24542

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC2=C(C=C1)C(=O)C(=C(O2)O)[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=CC2=C(C=C1)C(=O)C(=C(O2)O)[N+](=O)[O-]

InChI

InChI=1S/C13H13NO6/c1-2-3-6-19-8-4-5-9-10(7-8)20-13(16)11(12(9)15)14(17)18/h4-5,7,16H,2-3,6H2,1H3