butyl 3-(4-chlorophenyl)-4-nitro-butanoate

Systemtic Name: butyl 3-(4-chlorophenyl)-4-nitro-butanoate Openeye Name: butyl 3-(4-chlorophenyl)-4-nitro-butanoate CAS Name: 3-(4-chlorophenyl)-4-nitrobutanoic acid butyl ester IUPAC Name: butyl 3-(4-chlorophenyl)-4-nitrobutanoate Traditional Name: 3-(4-chlorophenyl)-4-nitro-butyric acid butyl ester Formula: C14H18ClNO4 MolecularWeight: 299.75002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CC(C[N+](=O)[O-])C1=CC=C(C=C1)Cl

Isomeric SMILES

CCCCOC(=O)CC(C[N+](=O)[O-])C1=CC=C(C=C1)Cl

InChI

InChI=1S/C14H18ClNO4/c1-2-3-8-20-14(17)9-12(10-16(18)19)11-4-6-13(15)7-5-11/h4-7,12H,2-3,8-10H2,1H3