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

Systemtic Name: 3-[(4-methyl-3-nitro-phenyl)methyl]-5-[4-methyl-3-(phenylmethyl)phenyl]oxan-2-one Openeye Name: 5-(3-benzyl-4-methyl-phenyl)-3-[(4-methyl-3-nitro-phenyl)methyl]tetrahydropyran-2-one CAS Name: 3-[(4-methyl-3-nitrophenyl)methyl]-5-[4-methyl-3-(phenylmethyl)phenyl]-2-oxanone IUPAC Name: 5-(3-benzyl-4-methylphenyl)-3-[(4-methyl-3-nitrophenyl)methyl]oxan-2-one Traditional Name: 5-(3-benzyl-4-methyl-phenyl)-3-(4-methyl-3-nitro-benzyl)tetrahydropyran-2-one Formula: C27H27NO4 MolecularWeight: 429.50758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2CC(C(=O)OC2)CC3=CC(=C(C=C3)C)[N+](=O)[O-])CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)C2CC(C(=O)OC2)CC3=CC(=C(C=C3)C)[N+](=O)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C27H27NO4/c1-18-9-11-22(15-23(18)12-20-6-4-3-5-7-20)25-16-24(27(29)32-17-25)13-21-10-8-19(2)26(14-21)28(30)31/h3-11,14-15,24-25H,12-13,16-17H2,1-2H3