1-butyl-3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-7-nitro-2-oxidanyl-quinolin-4-one

Systemtic Name: 1-butyl-3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-7-nitro-2-oxidanyl-quinolin-4-one Openeye Name: 1-butyl-3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-hydroxy-7-nitro-quinolin-4-one CAS Name: 1-butyl-3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-hydroxy-7-nitro-4-quinolinone IUPAC Name: 1-butyl-3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-hydroxy-7-nitroquinolin-4-one Traditional Name: 1-butyl-3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-hydroxy-7-nitro-4-quinolone Formula: C23H30N2O5 MolecularWeight: 414.4947

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=CC(=C2)[N+](=O)[O-])C(=O)C(=C1O)OCC=C(C)CCC=C(C)C

Isomeric SMILES

CCCCN1C2=C(C=CC(=C2)[N+](=O)[O-])C(=O)C(=C1O)OC/C=C(\C)/CCC=C(C)C

InChI

InChI=1S/C23H30N2O5/c1-5-6-13-24-20-15-18(25(28)29)10-11-19(20)21(26)22(23(24)27)30-14-12-17(4)9-7-8-16(2)3/h8,10-12,15,27H,5-7,9,13-14H2,1-4H3/b17-12+