2-[[[4-(1H-benzimidazol-2-yl)phenyl]amino]diazenyl]pentanedioic acid

Systemtic Name: 2-[[[4-(1H-benzimidazol-2-yl)phenyl]amino]diazenyl]pentanedioic acid Openeye Name: 2-[4-(1H-benzimidazol-2-yl)anilino]azopentanedioic acid CAS Name: 2-[4-(1H-benzimidazol-2-yl)anilino]azopentanedioic acid IUPAC Name: 2-[[4-(1H-benzimidazol-2-yl)anilino]diazenyl]pentanedioic acid Traditional Name: 2-[4-(1H-benzimidazol-2-yl)anilino]azoglutaric acid Formula: C18H17N5O4 MolecularWeight: 367.35868

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)C3=CC=C(C=C3)NN=NC(CCC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)C3=CC=C(C=C3)NN=NC(CCC(=O)O)C(=O)O

InChI

InChI=1S/C18H17N5O4/c24-16(25)10-9-15(18(26)27)22-23-21-12-7-5-11(6-8-12)17-19-13-3-1-2-4-14(13)20-17/h1-8,15H,9-10H2,(H,19,20)(H,21,22)(H,24,25)(H,26,27)