1-hexyl-3-(2-methylpentoxy)-7-nitro-2-oxidanyl-quinolin-4-one

Systemtic Name: 1-hexyl-3-(2-methylpentoxy)-7-nitro-2-oxidanyl-quinolin-4-one Openeye Name: 1-hexyl-2-hydroxy-3-(2-methylpentoxy)-7-nitro-quinolin-4-one CAS Name: 1-hexyl-2-hydroxy-3-(2-methylpentoxy)-7-nitro-4-quinolinone IUPAC Name: 1-hexyl-2-hydroxy-3-(2-methylpentoxy)-7-nitroquinolin-4-one Traditional Name: 1-hexyl-2-hydroxy-3-(2-methylpentoxy)-7-nitro-4-quinolone Formula: C21H30N2O5 MolecularWeight: 390.4733

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=C(C=CC(=C2)[N+](=O)[O-])C(=O)C(=C1O)OCC(C)CCC

Isomeric SMILES

CCCCCCN1C2=C(C=CC(=C2)[N+](=O)[O-])C(=O)C(=C1O)OCC(C)CCC

InChI

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