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

Systemtic Name: methyl 4-(2-methylphenyl)-5-[3-[(3-nitrophenyl)methoxy]phenyl]-5-oxidanylidene-pentanoate Openeye Name: methyl 5-[3-[(3-nitrophenyl)methoxy]phenyl]-4-(o-tolyl)-5-oxo-pentanoate CAS Name: 4-(2-methylphenyl)-5-[3-[(3-nitrophenyl)methoxy]phenyl]-5-oxopentanoic acid methyl ester IUPAC Name: methyl 4-(2-methylphenyl)-5-[3-[(3-nitrophenyl)methoxy]phenyl]-5-oxopentanoate Traditional Name: 5-keto-5-[3-(3-nitrobenzyl)oxyphenyl]-4-(o-tolyl)valeric acid methyl ester Formula: C26H25NO6 MolecularWeight: 447.4798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H25NO6/c1-18-7-3-4-12-23(18)24(13-14-25(28)32-2)26(29)20-9-6-11-22(16-20)33-17-19-8-5-10-21(15-19)27(30)31/h3-12,15-16,24H,13-14,17H2,1-2H3