5-(3-butoxy-4-methoxy-phenyl)-3-[(4-methyl-3-nitro-phenyl)methyl]oxan-2-one

Systemtic Name: 5-(3-butoxy-4-methoxy-phenyl)-3-[(4-methyl-3-nitro-phenyl)methyl]oxan-2-one Openeye Name: 5-(3-butoxy-4-methoxy-phenyl)-3-[(4-methyl-3-nitro-phenyl)methyl]tetrahydropyran-2-one CAS Name: 5-(3-butoxy-4-methoxyphenyl)-3-[(4-methyl-3-nitrophenyl)methyl]-2-oxanone IUPAC Name: 5-(3-butoxy-4-methoxyphenyl)-3-[(4-methyl-3-nitrophenyl)methyl]oxan-2-one Traditional Name: 5-(3-butoxy-4-methoxy-phenyl)-3-(4-methyl-3-nitro-benzyl)tetrahydropyran-2-one Formula: C24H29NO6 MolecularWeight: 427.49016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=CC(=C1)C2CC(C(=O)OC2)CC3=CC(=C(C=C3)C)[N+](=O)[O-])OC

Isomeric SMILES

CCCCOC1=C(C=CC(=C1)C2CC(C(=O)OC2)CC3=CC(=C(C=C3)C)[N+](=O)[O-])OC

InChI

InChI=1S/C24H29NO6/c1-4-5-10-30-23-14-18(8-9-22(23)29-3)20-13-19(24(26)31-15-20)11-17-7-6-16(2)21(12-17)25(27)28/h6-9,12,14,19-20H,4-5,10-11,13,15H2,1-3H3