methyl 4-methylidene-2-(2-nitrophenyl)octanoate

Systemtic Name: methyl 4-methylidene-2-(2-nitrophenyl)octanoate Openeye Name: methyl 4-methylene-2-(2-nitrophenyl)octanoate CAS Name: 4-methylene-2-(2-nitrophenyl)octanoic acid methyl ester IUPAC Name: methyl 4-methylidene-2-(2-nitrophenyl)octanoate Traditional Name: 4-butyl-2-(2-nitrophenyl)pent-4-enoic acid methyl ester Formula: C16H21NO4 MolecularWeight: 291.34224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO4/c1-4-5-8-12(2)11-14(16(18)21-3)13-9-6-7-10-15(13)17(19)20/h6-7,9-10,14H,2,4-5,8,11H2,1,3H3