N-[3-(2,4-dimethylphenyl)propyl]-4-fluoranyl-3-nitro-benzamide

Systemtic Name: N-[3-(2,4-dimethylphenyl)propyl]-4-fluoranyl-3-nitro-benzamide Openeye Name: N-[3-(2,4-dimethylphenyl)propyl]-4-fluoro-3-nitro-benzamide CAS Name: N-[3-(2,4-dimethylphenyl)propyl]-4-fluoro-3-nitrobenzamide IUPAC Name: N-[3-(2,4-dimethylphenyl)propyl]-4-fluoro-3-nitrobenzamide Traditional Name: N-[3-(2,4-dimethylphenyl)propyl]-4-fluoro-3-nitro-benzamide Formula: C18H19FN2O3 MolecularWeight: 330.353463

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CCCNC(=O)C2=CC(=C(C=C2)F)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)CCCNC(=O)C2=CC(=C(C=C2)F)[N+](=O)[O-])C

InChI

InChI=1S/C18H19FN2O3/c1-12-5-6-14(13(2)10-12)4-3-9-20-18(22)15-7-8-16(19)17(11-15)21(23)24/h5-8,10-11H,3-4,9H2,1-2H3,(H,20,22)