4-[[3-[(4-carboxyphenyl)amino]pyrazin-2-yl]amino]benzoic acid

Systemtic Name: 4-[[3-[(4-carboxyphenyl)amino]pyrazin-2-yl]amino]benzoic acid Openeye Name: 4-[[3-(4-carboxyanilino)pyrazin-2-yl]amino]benzoic acid CAS Name: 4-[[3-(4-carboxyanilino)-2-pyrazinyl]amino]benzoic acid IUPAC Name: 4-[[3-(4-carboxyanilino)pyrazin-2-yl]amino]benzoic acid Traditional Name: 4-[[3-(4-carboxyanilino)pyrazin-2-yl]amino]benzoic acid Formula: C18H14N4O4 MolecularWeight: 350.32816

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NC2=NC=CN=C2NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NC2=NC=CN=C2NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C18H14N4O4/c23-17(24)11-1-5-13(6-2-11)21-15-16(20-10-9-19-15)22-14-7-3-12(4-8-14)18(25)26/h1-10H,(H,19,21)(H,20,22)(H,23,24)(H,25,26)