4-[(3-fluoranyl-4-methyl-phenyl)carbonyl-(4-nitronaphthalen-1-yl)amino]butanoic acid

Systemtic Name: 4-[(3-fluoranyl-4-methyl-phenyl)carbonyl-(4-nitronaphthalen-1-yl)amino]butanoic acid Openeye Name: 4-[(3-fluoro-4-methyl-benzoyl)-(4-nitro-1-naphthyl)amino]butanoic acid CAS Name: 4-[[(3-fluoro-4-methylphenyl)-oxomethyl]-(4-nitro-1-naphthalenyl)amino]butanoic acid IUPAC Name: 4-[(3-fluoro-4-methylbenzoyl)-(4-nitronaphthalen-1-yl)amino]butanoic acid Traditional Name: 4-[(3-fluoro-4-methyl-benzoyl)-(4-nitro-1-naphthyl)amino]butyric acid Formula: C22H19FN2O5 MolecularWeight: 410.395063

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N(CCCC(=O)O)C2=CC=C(C3=CC=CC=C32)[N+](=O)[O-])F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N(CCCC(=O)O)C2=CC=C(C3=CC=CC=C32)[N+](=O)[O-])F

InChI

InChI=1S/C22H19FN2O5/c1-14-8-9-15(13-18(14)23)22(28)24(12-4-7-21(26)27)19-10-11-20(25(29)30)17-6-3-2-5-16(17)19/h2-3,5-6,8-11,13H,4,7,12H2,1H3,(H,26,27)