5-[3-carboxy-4-(2-methylprop-2-enoylamino)phenyl]-2-(2-methylprop-2-enoylamino)benzoic acid

Systemtic Name: 5-[3-carboxy-4-(2-methylprop-2-enoylamino)phenyl]-2-(2-methylprop-2-enoylamino)benzoic acid Openeye Name: 5-[3-carboxy-4-(2-methylprop-2-enoylamino)phenyl]-2-(2-methylprop-2-enoylamino)benzoic acid CAS Name: 5-[3-carboxy-4-[(2-methyl-1-oxoprop-2-enyl)amino]phenyl]-2-[(2-methyl-1-oxoprop-2-enyl)amino]benzoic acid IUPAC Name: 5-[3-carboxy-4-(2-methylprop-2-enoylamino)phenyl]-2-(2-methylprop-2-enoylamino)benzoic acid Traditional Name: 5-(3-carboxy-4-methacrylamido-phenyl)-2-methacrylamido-benzoic acid Formula: C22H20N2O6 MolecularWeight: 408.404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(=O)NC1=C(C=C(C=C1)C2=CC(=C(C=C2)NC(=O)C(=C)C)C(=O)O)C(=O)O

Isomeric SMILES

CC(=C)C(=O)NC1=C(C=C(C=C1)C2=CC(=C(C=C2)NC(=O)C(=C)C)C(=O)O)C(=O)O

InChI

InChI=1S/C22H20N2O6/c1-11(2)19(25)23-17-7-5-13(9-15(17)21(27)28)14-6-8-18(16(10-14)22(29)30)24-20(26)12(3)4/h5-10H,1,3H2,2,4H3,(H,23,25)(H,24,26)(H,27,28)(H,29,30)