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

Systemtic Name: 3-butoxy-4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-7-nitro-1H-quinolin-2-one Openeye Name: 3-butoxy-4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-7-nitro-1H-quinolin-2-one CAS Name: 3-butoxy-4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-7-nitro-1H-quinolin-2-one IUPAC Name: 3-butoxy-4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-7-nitro-1H-quinolin-2-one Traditional Name: 3-butoxy-4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-7-nitro-carbostyril Formula: C23H30N2O5 MolecularWeight: 414.4947

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C2=C(C=C(C=C2)[N+](=O)[O-])NC1=O)OCC=C(C)CCC=C(C)C

Isomeric SMILES

CCCCOC1=C(C2=C(C=C(C=C2)[N+](=O)[O-])NC1=O)OC/C=C(\C)/CCC=C(C)C

InChI

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