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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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