[2-(3,4-dimethylphenyl)-4-(nitromethyl)-3-oxidanylidene-cyclopenten-1-yl] butanoate

Systemtic Name: [2-(3,4-dimethylphenyl)-4-(nitromethyl)-3-oxidanylidene-cyclopenten-1-yl] butanoate Openeye Name: [2-(3,4-dimethylphenyl)-4-(nitromethyl)-3-oxo-cyclopenten-1-yl] butanoate CAS Name: butanoic acid [2-(3,4-dimethylphenyl)-4-(nitromethyl)-3-oxo-1-cyclopentenyl] ester IUPAC Name: [2-(3,4-dimethylphenyl)-4-(nitromethyl)-3-oxocyclopenten-1-yl] butanoate Traditional Name: butyric acid [2-(3,4-dimethylphenyl)-3-keto-4-(nitromethyl)cyclopenten-1-yl] ester Formula: C18H21NO5 MolecularWeight: 331.36304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=C(C(=O)C(C1)C[N+](=O)[O-])C2=CC(=C(C=C2)C)C

Isomeric SMILES

CCCC(=O)OC1=C(C(=O)C(C1)C[N+](=O)[O-])C2=CC(=C(C=C2)C)C

InChI

InChI=1S/C18H21NO5/c1-4-5-16(20)24-15-9-14(10-19(22)23)18(21)17(15)13-7-6-11(2)12(3)8-13/h6-8,14H,4-5,9-10H2,1-3H3