3-butoxy-7-nitro-2-oxidanyl-1H-quinolin-4-one

Systemtic Name: 3-butoxy-7-nitro-2-oxidanyl-1H-quinolin-4-one Openeye Name: 3-butoxy-2-hydroxy-7-nitro-1H-quinolin-4-one CAS Name: 3-butoxy-2-hydroxy-7-nitro-1H-quinolin-4-one IUPAC Name: 3-butoxy-2-hydroxy-7-nitro-1H-quinolin-4-one Traditional Name: 3-butoxy-2-hydroxy-7-nitro-4-quinolone Formula: C13H14N2O5 MolecularWeight: 278.26066

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(NC2=C(C1=O)C=CC(=C2)[N+](=O)[O-])O

Isomeric SMILES

CCCCOC1=C(NC2=C(C1=O)C=CC(=C2)[N+](=O)[O-])O

InChI

InChI=1S/C13H14N2O5/c1-2-3-6-20-12-11(16)9-5-4-8(15(18)19)7-10(9)14-13(12)17/h4-5,7H,2-3,6H2,1H3,(H2,14,16,17)