3-(4-tert-butyl-2-nitro-phenyl)-2-oxidanylidene-propanoic acid

Systemtic Name: 3-(4-tert-butyl-2-nitro-phenyl)-2-oxidanylidene-propanoic acid Openeye Name: 3-(4-tert-butyl-2-nitro-phenyl)-2-oxo-propanoic acid CAS Name: 3-(4-tert-butyl-2-nitrophenyl)-2-oxopropanoic acid IUPAC Name: 3-(4-tert-butyl-2-nitrophenyl)-2-oxopropanoic acid Traditional Name: 3-(4-tert-butyl-2-nitro-phenyl)-2-keto-propionic acid Formula: C13H15NO5 MolecularWeight: 265.2619

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO5/c1-13(2,3)9-5-4-8(6-11(15)12(16)17)10(7-9)14(18)19/h4-5,7H,6H2,1-3H3,(H,16,17)