3-[5-azanyl-4-(1H-benzimidazol-2-yl)-3-oxidanylidene-2H-pyrrol-1-yl]propanoic acid

Systemtic Name: 3-[5-azanyl-4-(1H-benzimidazol-2-yl)-3-oxidanylidene-2H-pyrrol-1-yl]propanoic acid Openeye Name: 3-[5-amino-4-(1H-benzimidazol-2-yl)-3-oxo-2H-pyrrol-1-yl]propanoic acid CAS Name: 3-[5-amino-4-(1H-benzimidazol-2-yl)-3-oxo-2H-pyrrol-1-yl]propanoic acid IUPAC Name: 3-[5-amino-4-(1H-benzimidazol-2-yl)-3-oxo-2H-pyrrol-1-yl]propanoic acid Traditional Name: 3-[2-amino-3-(1H-benzimidazol-2-yl)-4-keto-2-pyrrolin-1-yl]propionic acid Formula: C14H14N4O3 MolecularWeight: 286.28596

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)C(=C(N1CCC(=O)O)N)C2=NC3=CC=CC=C3N2

Isomeric SMILES

C1C(=O)C(=C(N1CCC(=O)O)N)C2=NC3=CC=CC=C3N2

InChI

InChI=1S/C14H14N4O3/c15-13-12(10(19)7-18(13)6-5-11(20)21)14-16-8-3-1-2-4-9(8)17-14/h1-4H,5-7,15H2,(H,16,17)(H,20,21)