1-butyl-3-hexoxy-7-nitro-2-oxidanyl-quinolin-4-one

Systemtic Name: 1-butyl-3-hexoxy-7-nitro-2-oxidanyl-quinolin-4-one Openeye Name: 1-butyl-3-hexoxy-2-hydroxy-7-nitro-quinolin-4-one CAS Name: 1-butyl-3-hexoxy-2-hydroxy-7-nitro-4-quinolinone IUPAC Name: 1-butyl-3-hexoxy-2-hydroxy-7-nitroquinolin-4-one Traditional Name: 1-butyl-3-hexoxy-2-hydroxy-7-nitro-4-quinolone Formula: C19H26N2O5 MolecularWeight: 362.42014

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(N(C2=C(C1=O)C=CC(=C2)[N+](=O)[O-])CCCC)O

Isomeric SMILES

CCCCCCOC1=C(N(C2=C(C1=O)C=CC(=C2)[N+](=O)[O-])CCCC)O

InChI

InChI=1S/C19H26N2O5/c1-3-5-7-8-12-26-18-17(22)15-10-9-14(21(24)25)13-16(15)20(19(18)23)11-6-4-2/h9-10,13,23H,3-8,11-12H2,1-2H3