4-hexoxy-3-(2-methylpentoxy)-7-nitro-1H-quinolin-2-one

Systemtic Name: 4-hexoxy-3-(2-methylpentoxy)-7-nitro-1H-quinolin-2-one Openeye Name: 4-hexoxy-3-(2-methylpentoxy)-7-nitro-1H-quinolin-2-one CAS Name: 4-hexoxy-3-(2-methylpentoxy)-7-nitro-1H-quinolin-2-one IUPAC Name: 4-hexoxy-3-(2-methylpentoxy)-7-nitro-1H-quinolin-2-one Traditional Name: 4-hexoxy-3-(2-methylpentoxy)-7-nitro-carbostyril Formula: C21H30N2O5 MolecularWeight: 390.4733

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C(=O)NC2=C1C=CC(=C2)[N+](=O)[O-])OCC(C)CCC

Isomeric SMILES

CCCCCCOC1=C(C(=O)NC2=C1C=CC(=C2)[N+](=O)[O-])OCC(C)CCC

InChI

InChI=1S/C21H30N2O5/c1-4-6-7-8-12-27-19-17-11-10-16(23(25)26)13-18(17)22-21(24)20(19)28-14-15(3)9-5-2/h10-11,13,15H,4-9,12,14H2,1-3H3,(H,22,24)