3-acetamido-2-(4-nitro-3-oxidanyl-phenyl)-2-pyridin-2-yl-butanoic acid

Systemtic Name: 3-acetamido-2-(4-nitro-3-oxidanyl-phenyl)-2-pyridin-2-yl-butanoic acid Openeye Name: 3-acetamido-2-(3-hydroxy-4-nitro-phenyl)-2-(2-pyridyl)butanoic acid CAS Name: 3-acetamido-2-(3-hydroxy-4-nitrophenyl)-2-(2-pyridinyl)butanoic acid IUPAC Name: 3-acetamido-2-(3-hydroxy-4-nitrophenyl)-2-pyridin-2-ylbutanoic acid Traditional Name: 3-acetamido-2-(3-hydroxy-4-nitro-phenyl)-2-(2-pyridyl)butyric acid Formula: C17H17N3O6 MolecularWeight: 359.33338

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC(=C(C=C1)[N+](=O)[O-])O)(C2=CC=CC=N2)C(=O)O)NC(=O)C

Isomeric SMILES

CC(C(C1=CC(=C(C=C1)[N+](=O)[O-])O)(C2=CC=CC=N2)C(=O)O)NC(=O)C

InChI

InChI=1S/C17H17N3O6/c1-10(19-11(2)21)17(16(23)24,15-5-3-4-8-18-15)12-6-7-13(20(25)26)14(22)9-12/h3-10,22H,1-2H3,(H,19,21)(H,23,24)