5-[[4-(2-azanylethynoxy)phenyl]diazenyl]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[[4-(2-azanylethynoxy)phenyl]diazenyl]benzene-1,3-dicarboxylic acid Openeye Name: 5-[4-(2-aminoethynoxy)phenyl]azobenzene-1,3-dicarboxylic acid CAS Name: 5-[4-(2-aminoethynoxy)phenyl]azobenzene-1,3-dicarboxylic acid IUPAC Name: 5-[[4-(2-aminoethynoxy)phenyl]diazenyl]benzene-1,3-dicarboxylic acid Traditional Name: 5-[4-(2-aminoethynoxy)phenyl]azoisophthalic acid Formula: C16H11N3O5 MolecularWeight: 325.27564

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N=NC2=CC(=CC(=C2)C(=O)O)C(=O)O)OC#CN

Isomeric SMILES

C1=CC(=CC=C1N=NC2=CC(=CC(=C2)C(=O)O)C(=O)O)OC#CN

InChI

InChI=1S/C16H11N3O5/c17-5-6-24-14-3-1-12(2-4-14)18-19-13-8-10(15(20)21)7-11(9-13)16(22)23/h1-4,7-9H,17H2,(H,20,21)(H,22,23)