2-[(2,5-dicyano-1H-imidazol-4-yl)carbamoyl]benzoic acid

Systemtic Name: 2-[(2,5-dicyano-1H-imidazol-4-yl)carbamoyl]benzoic acid Openeye Name: 2-[(2,5-dicyano-1H-imidazol-4-yl)carbamoyl]benzoic acid CAS Name: 2-[[(2,5-dicyano-1H-imidazol-4-yl)amino]-oxomethyl]benzoic acid IUPAC Name: 2-[(2,5-dicyano-1H-imidazol-4-yl)carbamoyl]benzoic acid Traditional Name: 2-[(2,5-dicyano-1H-imidazol-4-yl)carbamoyl]benzoic acid Formula: C13H7N5O3 MolecularWeight: 281.22638

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC2=C(NC(=N2)C#N)C#N)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=C(NC(=N2)C#N)C#N)C(=O)O

InChI

InChI=1S/C13H7N5O3/c14-5-9-11(17-10(6-15)16-9)18-12(19)7-3-1-2-4-8(7)13(20)21/h1-4H,(H,16,17)(H,18,19)(H,20,21)