2-[(4-carboxyphenyl)amino]-5-phenylazanyl-terephthalic acid

Systemtic Name: 2-[(4-carboxyphenyl)amino]-5-phenylazanyl-terephthalic acid Openeye Name: 2-anilino-5-(4-carboxyanilino)terephthalic acid CAS Name: 2-anilino-5-(4-carboxyanilino)terephthalic acid IUPAC Name: 2-anilino-5-(4-carboxyanilino)terephthalic acid Traditional Name: 2-anilino-5-(4-carboxyanilino)terephthalic acid Formula: C21H16N2O6 MolecularWeight: 392.36154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16N2O6/c24-19(25)12-6-8-14(9-7-12)23-18-11-15(20(26)27)17(10-16(18)21(28)29)22-13-4-2-1-3-5-13/h1-11,22-23H,(H,24,25)(H,26,27)(H,28,29)