4-[3-(4-aminophenyl)-6-azanyl-5-(4-carboxyphenyl)pyrazin-2-yl]benzoic acid

Systemtic Name: 4-[3-(4-aminophenyl)-6-azanyl-5-(4-carboxyphenyl)pyrazin-2-yl]benzoic acid Openeye Name: 4-[6-amino-3-(4-aminophenyl)-5-(4-carboxyphenyl)pyrazin-2-yl]benzoic acid CAS Name: 4-[6-amino-3-(4-aminophenyl)-5-(4-carboxyphenyl)-2-pyrazinyl]benzoic acid IUPAC Name: 4-[6-amino-3-(4-aminophenyl)-5-(4-carboxyphenyl)pyrazin-2-yl]benzoic acid Traditional Name: 4-[6-amino-3-(4-aminophenyl)-5-(4-carboxyphenyl)pyrazin-2-yl]benzoic acid Formula: C24H18N4O4 MolecularWeight: 426.42412

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(N=C(C(=N2)N)C3=CC=C(C=C3)C(=O)O)C4=CC=C(C=C4)N)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C2=C(N=C(C(=N2)N)C3=CC=C(C=C3)C(=O)O)C4=CC=C(C=C4)N)C(=O)O

InChI

InChI=1S/C24H18N4O4/c25-18-11-9-14(10-12-18)19-20(13-1-5-16(6-2-13)23(29)30)28-22(26)21(27-19)15-3-7-17(8-4-15)24(31)32/h1-12H,25H2,(H2,26,28)(H,29,30)(H,31,32)