4-[[5-methyl-2-[methyl-(4-nitrophenyl)carbonyl-amino]phenoxy]methyl]benzoic acid

Systemtic Name: 4-[[5-methyl-2-[methyl-(4-nitrophenyl)carbonyl-amino]phenoxy]methyl]benzoic acid Openeye Name: 4-[[5-methyl-2-[methyl-(4-nitrobenzoyl)amino]phenoxy]methyl]benzoic acid CAS Name: 4-[[5-methyl-2-[methyl-[(4-nitrophenyl)-oxomethyl]amino]phenoxy]methyl]benzoic acid IUPAC Name: 4-[[5-methyl-2-[methyl-(4-nitrobenzoyl)amino]phenoxy]methyl]benzoic acid Traditional Name: 4-[[5-methyl-2-[methyl-(4-nitrobenzoyl)amino]phenoxy]methyl]benzoic acid Formula: C23H20N2O6 MolecularWeight: 420.4147

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N(C)C(=O)C2=CC=C(C=C2)[N+](=O)[O-])OCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)N(C)C(=O)C2=CC=C(C=C2)[N+](=O)[O-])OCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C23H20N2O6/c1-15-3-12-20(24(2)22(26)17-8-10-19(11-9-17)25(29)30)21(13-15)31-14-16-4-6-18(7-5-16)23(27)28/h3-13H,14H2,1-2H3,(H,27,28)