3-(1H-imidazol-5-yl)-2-(3-oxidanylidene-1,4-dihydropyrrolo[3,4-b]indol-2-yl)propanoic acid

Systemtic Name: 3-(1H-imidazol-5-yl)-2-(3-oxidanylidene-1,4-dihydropyrrolo[3,4-b]indol-2-yl)propanoic acid Openeye Name: 3-(1H-imidazol-5-yl)-2-(3-oxo-1,4-dihydropyrrolo[3,4-b]indol-2-yl)propanoic acid CAS Name: 3-(1H-imidazol-5-yl)-2-(3-oxo-1,4-dihydropyrrolo[3,4-b]indol-2-yl)propanoic acid IUPAC Name: 3-(1H-imidazol-5-yl)-2-(3-oxo-1,4-dihydropyrrolo[3,4-b]indol-2-yl)propanoic acid Traditional Name: 3-(1H-imidazol-5-yl)-2-(3-keto-1,4-dihydropyrrol[3,4-b]indol-2-yl)propionic acid Formula: C16H14N4O3 MolecularWeight: 310.30736

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C(=O)N1C(CC3=CN=CN3)C(=O)O)NC4=CC=CC=C24

Isomeric SMILES

C1C2=C(C(=O)N1C(CC3=CN=CN3)C(=O)O)NC4=CC=CC=C24

InChI

InChI=1S/C16H14N4O3/c21-15-14-11(10-3-1-2-4-12(10)19-14)7-20(15)13(16(22)23)5-9-6-17-8-18-9/h1-4,6,8,13,19H,5,7H2,(H,17,18)(H,22,23)