4-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]benzene-1,3-dicarboxylic acid

Systemtic Name: 4-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]benzene-1,3-dicarboxylic acid Openeye Name: 4-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]benzene-1,3-dicarboxylic acid CAS Name: 4-[2-[(4-carbamimidoylanilino)-oxomethyl]phenyl]benzene-1,3-dicarboxylic acid IUPAC Name: 4-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]benzene-1,3-dicarboxylic acid Traditional Name: 4-[2-[(4-amidinophenyl)carbamoyl]phenyl]isophthalic acid Formula: C22H17N3O5 MolecularWeight: 403.38748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17N3O5/c23-19(24)12-5-8-14(9-6-12)25-20(26)17-4-2-1-3-15(17)16-10-7-13(21(27)28)11-18(16)22(29)30/h1-11H,(H3,23,24)(H,25,26)(H,27,28)(H,29,30)