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

Systemtic Name: 1-butyl-4-hexoxy-3-methoxy-7-nitro-quinolin-2-one Openeye Name: 1-butyl-4-hexoxy-3-methoxy-7-nitro-quinolin-2-one CAS Name: 1-butyl-4-hexoxy-3-methoxy-7-nitro-2-quinolinone IUPAC Name: 1-butyl-4-hexoxy-3-methoxy-7-nitroquinolin-2-one Traditional Name: 1-butyl-4-hexoxy-3-methoxy-7-nitro-carbostyril Formula: C20H28N2O5 MolecularWeight: 376.44672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O5/c1-4-6-8-9-13-27-18-16-11-10-15(22(24)25)14-17(16)21(12-7-5-2)20(23)19(18)26-3/h10-11,14H,4-9,12-13H2,1-3H3