2-(1H-imidazol-5-yl)-3-(4-nitrophenyl)butanoic acid

Systemtic Name: 2-(1H-imidazol-5-yl)-3-(4-nitrophenyl)butanoic acid Openeye Name: 2-(1H-imidazol-5-yl)-3-(4-nitrophenyl)butanoic acid CAS Name: 2-(1H-imidazol-5-yl)-3-(4-nitrophenyl)butanoic acid IUPAC Name: 2-(1H-imidazol-5-yl)-3-(4-nitrophenyl)butanoic acid Traditional Name: 2-(1H-imidazol-5-yl)-3-(4-nitrophenyl)butyric acid Formula: C13H13N3O4 MolecularWeight: 275.26002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)[N+](=O)[O-])C(C2=CN=CN2)C(=O)O

Isomeric SMILES

CC(C1=CC=C(C=C1)[N+](=O)[O-])C(C2=CN=CN2)C(=O)O

InChI

InChI=1S/C13H13N3O4/c1-8(9-2-4-10(5-3-9)16(19)20)12(13(17)18)11-6-14-7-15-11/h2-8,12H,1H3,(H,14,15)(H,17,18)