4-methyl-1,3-bis(4-methylphenyl)-4-nitro-pentan-1-one

Systemtic Name: 4-methyl-1,3-bis(4-methylphenyl)-4-nitro-pentan-1-one Openeye Name: 4-methyl-4-nitro-1,3-bis(p-tolyl)pentan-1-one CAS Name: 4-methyl-1,3-bis(4-methylphenyl)-4-nitro-1-pentanone IUPAC Name: 4-methyl-1,3-bis(4-methylphenyl)-4-nitropentan-1-one Traditional Name: 4-methyl-4-nitro-1,3-bis(p-tolyl)pentan-1-one Formula: C20H23NO3 MolecularWeight: 325.40152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC(=O)C2=CC=C(C=C2)C)C(C)(C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(CC(=O)C2=CC=C(C=C2)C)C(C)(C)[N+](=O)[O-]

InChI

InChI=1S/C20H23NO3/c1-14-5-9-16(10-6-14)18(20(3,4)21(23)24)13-19(22)17-11-7-15(2)8-12-17/h5-12,18H,13H2,1-4H3