[3-[(3-nitrophenyl)methoxy]phenyl] 4-(2-methylphenyl)-5-oxidanylidene-pentanoate

Systemtic Name: [3-[(3-nitrophenyl)methoxy]phenyl] 4-(2-methylphenyl)-5-oxidanylidene-pentanoate Openeye Name: [3-[(3-nitrophenyl)methoxy]phenyl] 4-(o-tolyl)-5-oxo-pentanoate CAS Name: 4-(2-methylphenyl)-5-oxopentanoic acid [3-[(3-nitrophenyl)methoxy]phenyl] ester IUPAC Name: [3-[(3-nitrophenyl)methoxy]phenyl] 4-(2-methylphenyl)-5-oxopentanoate Traditional Name: 5-keto-4-(o-tolyl)valeric acid [3-(3-nitrobenzyl)oxyphenyl] ester Formula: C25H23NO6 MolecularWeight: 433.45322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(CCC(=O)OC2=CC(=CC=C2)OCC3=CC(=CC=C3)[N+](=O)[O-])C=O

Isomeric SMILES

CC1=CC=CC=C1C(CCC(=O)OC2=CC(=CC=C2)OCC3=CC(=CC=C3)[N+](=O)[O-])C=O

InChI

InChI=1S/C25H23NO6/c1-18-6-2-3-11-24(18)20(16-27)12-13-25(28)32-23-10-5-9-22(15-23)31-17-19-7-4-8-21(14-19)26(29)30/h2-11,14-16,20H,12-13,17H2,1H3