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

Systemtic Name: 5-(3,4-dimethylphenyl)-3-[(4-methyl-3-nitro-phenyl)methyl]oxan-2-one Openeye Name: 5-(3,4-dimethylphenyl)-3-[(4-methyl-3-nitro-phenyl)methyl]tetrahydropyran-2-one CAS Name: 5-(3,4-dimethylphenyl)-3-[(4-methyl-3-nitrophenyl)methyl]-2-oxanone IUPAC Name: 5-(3,4-dimethylphenyl)-3-[(4-methyl-3-nitrophenyl)methyl]oxan-2-one Traditional Name: 5-(3,4-dimethylphenyl)-3-(4-methyl-3-nitro-benzyl)tetrahydropyran-2-one Formula: C21H23NO4 MolecularWeight: 353.41162

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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-])C

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO4/c1-13-5-7-17(8-15(13)3)19-11-18(21(23)26-12-19)9-16-6-4-14(2)20(10-16)22(24)25/h4-8,10,18-19H,9,11-12H2,1-3H3