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

Systemtic Name: 3-hexoxy-1-hexyl-7-nitro-2-oxidanyl-quinolin-4-one Openeye Name: 3-hexoxy-1-hexyl-2-hydroxy-7-nitro-quinolin-4-one CAS Name: 3-hexoxy-1-hexyl-2-hydroxy-7-nitro-4-quinolinone IUPAC Name: 3-hexoxy-1-hexyl-2-hydroxy-7-nitroquinolin-4-one Traditional Name: 3-hexoxy-1-hexyl-2-hydroxy-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)OCCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C21H30N2O5/c1-3-5-7-9-13-22-18-15-16(23(26)27)11-12-17(18)19(24)20(21(22)25)28-14-10-8-6-4-2/h11-12,15,25H,3-10,13-14H2,1-2H3