ethyl 4-(cyclohepten-1-yl)-5-(4-methylphenyl)-4-nitro-pentanoate

Systemtic Name: ethyl 4-(cyclohepten-1-yl)-5-(4-methylphenyl)-4-nitro-pentanoate Openeye Name: ethyl 4-(cyclohepten-1-yl)-4-nitro-5-(p-tolyl)pentanoate CAS Name: 4-(1-cycloheptenyl)-5-(4-methylphenyl)-4-nitropentanoic acid ethyl ester IUPAC Name: ethyl 4-(cyclohepten-1-yl)-5-(4-methylphenyl)-4-nitropentanoate Traditional Name: 4-(cyclohepten-1-yl)-4-nitro-5-(p-tolyl)valeric acid ethyl ester Formula: C21H29NO4 MolecularWeight: 359.45926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(CC1=CC=C(C=C1)C)(C2=CCCCCC2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CCC(CC1=CC=C(C=C1)C)(C2=CCCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C21H29NO4/c1-3-26-20(23)14-15-21(22(24)25,19-8-6-4-5-7-9-19)16-18-12-10-17(2)11-13-18/h8,10-13H,3-7,9,14-16H2,1-2H3