2-[(3-cyanophenyl)carbonylamino]-3-(1H-imidazol-5-yl)propanoic acid

Systemtic Name: 2-[(3-cyanophenyl)carbonylamino]-3-(1H-imidazol-5-yl)propanoic acid Openeye Name: 2-[(3-cyanobenzoyl)amino]-3-(1H-imidazol-5-yl)propanoic acid CAS Name: 2-[[(3-cyanophenyl)-oxomethyl]amino]-3-(1H-imidazol-5-yl)propanoic acid IUPAC Name: 2-[(3-cyanobenzoyl)amino]-3-(1H-imidazol-5-yl)propanoic acid Traditional Name: 2-[(3-cyanobenzoyl)amino]-3-(1H-imidazol-5-yl)propionic acid Formula: C14H12N4O3 MolecularWeight: 284.27008

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)NC(CC2=CN=CN2)C(=O)O)C#N

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)NC(CC2=CN=CN2)C(=O)O)C#N

InChI

InChI=1S/C14H12N4O3/c15-6-9-2-1-3-10(4-9)13(19)18-12(14(20)21)5-11-7-16-8-17-11/h1-4,7-8,12H,5H2,(H,16,17)(H,18,19)(H,20,21)