4-[2-(3-butoxy-5-nitro-phenyl)-2-nitro-ethyl]-7a-methyl-2,3,3a,4,6,7-hexahydro-1H-inden-5-one

Systemtic Name: 4-[2-(3-butoxy-5-nitro-phenyl)-2-nitro-ethyl]-7a-methyl-2,3,3a,4,6,7-hexahydro-1H-inden-5-one Openeye Name: 4-[2-(3-butoxy-5-nitro-phenyl)-2-nitro-ethyl]-7a-methyl-2,3,3a,4,6,7-hexahydro-1H-inden-5-one CAS Name: 4-[2-(3-butoxy-5-nitrophenyl)-2-nitroethyl]-7a-methyl-2,3,3a,4,6,7-hexahydro-1H-inden-5-one IUPAC Name: 4-[2-(3-butoxy-5-nitrophenyl)-2-nitroethyl]-7a-methyl-2,3,3a,4,6,7-hexahydro-1H-inden-5-one Traditional Name: 4-[2-(3-butoxy-5-nitro-phenyl)-2-nitro-ethyl]-7a-methyl-2,3,3a,4,6,7-hexahydro-1H-inden-5-one Formula: C22H30N2O6 MolecularWeight: 418.4834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC(=CC(=C1)[N+](=O)[O-])C(CC2C3CCCC3(CCC2=O)C)[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=CC(=CC(=C1)[N+](=O)[O-])C(CC2C3CCCC3(CCC2=O)C)[N+](=O)[O-]

InChI

InChI=1S/C22H30N2O6/c1-3-4-10-30-17-12-15(11-16(13-17)23(26)27)20(24(28)29)14-18-19-6-5-8-22(19,2)9-7-21(18)25/h11-13,18-20H,3-10,14H2,1-2H3