2-[[4-[(2-carboxy-4-methyl-phenyl)amino]phenyl]amino]-5-methyl-benzoic acid

Systemtic Name: 2-[[4-[(2-carboxy-4-methyl-phenyl)amino]phenyl]amino]-5-methyl-benzoic acid Openeye Name: 2-[4-(2-carboxy-4-methyl-anilino)anilino]-5-methyl-benzoic acid CAS Name: 2-[4-(2-carboxy-4-methylanilino)anilino]-5-methylbenzoic acid IUPAC Name: 2-[4-(2-carboxy-4-methylanilino)anilino]-5-methylbenzoic acid Traditional Name: 2-[4-(2-carboxy-4-methyl-anilino)anilino]-5-methyl-benzoic acid Formula: C22H20N2O4 MolecularWeight: 376.4052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC2=CC=C(C=C2)NC3=C(C=C(C=C3)C)C(=O)O)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)NC2=CC=C(C=C2)NC3=C(C=C(C=C3)C)C(=O)O)C(=O)O

InChI

InChI=1S/C22H20N2O4/c1-13-3-9-19(17(11-13)21(25)26)23-15-5-7-16(8-6-15)24-20-10-4-14(2)12-18(20)22(27)28/h3-12,23-24H,1-2H3,(H,25,26)(H,27,28)