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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C(=O)N(C2=C1C=CC(=C2)[N+](=O)[O-])CCCC)O

Isomeric SMILES

CCCCCCOC1=C(C(=O)N(C2=C1C=CC(=C2)[N+](=O)[O-])CCCC)O

InChI

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