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

Systemtic Name: 3,4-bis[(2E)-3,7-dimethylocta-2,6-dienoxy]-1-hexyl-7-nitro-quinolin-2-one Openeye Name: 3,4-bis[(2E)-3,7-dimethylocta-2,6-dienoxy]-1-hexyl-7-nitro-quinolin-2-one CAS Name: 3,4-bis[(2E)-3,7-dimethylocta-2,6-dienoxy]-1-hexyl-7-nitro-2-quinolinone IUPAC Name: 3,4-bis[(2E)-3,7-dimethylocta-2,6-dienoxy]-1-hexyl-7-nitroquinolin-2-one Traditional Name: 3,4-bis[(2E)-3,7-dimethylocta-2,6-dienoxy]-1-hexyl-7-nitro-carbostyril Formula: C35H50N2O5 MolecularWeight: 578.7819

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=C(C=CC(=C2)[N+](=O)[O-])C(=C(C1=O)OCC=C(C)CCC=C(C)C)OCC=C(C)CCC=C(C)C

Isomeric SMILES

CCCCCCN1C2=C(C=CC(=C2)[N+](=O)[O-])C(=C(C1=O)OC/C=C(\C)/CCC=C(C)C)OC/C=C(\C)/CCC=C(C)C

InChI

InChI=1S/C35H50N2O5/c1-8-9-10-11-22-36-32-25-30(37(39)40)18-19-31(32)33(41-23-20-28(6)16-12-14-26(2)3)34(35(36)38)42-24-21-29(7)17-13-15-27(4)5/h14-15,18-21,25H,8-13,16-17,22-24H2,1-7H3/b28-20+,29-21+