methyl 4-methyl-5-(4-methylphenyl)-4-nitro-pentanoate

Systemtic Name: methyl 4-methyl-5-(4-methylphenyl)-4-nitro-pentanoate Openeye Name: methyl 4-methyl-4-nitro-5-(p-tolyl)pentanoate CAS Name: 4-methyl-5-(4-methylphenyl)-4-nitropentanoic acid methyl ester IUPAC Name: methyl 4-methyl-5-(4-methylphenyl)-4-nitropentanoate Traditional Name: 4-methyl-4-nitro-5-(p-tolyl)valeric acid methyl ester Formula: C14H19NO4 MolecularWeight: 265.30496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO4/c1-11-4-6-12(7-5-11)10-14(2,15(17)18)9-8-13(16)19-3/h4-7H,8-10H2,1-3H3