4-(4-tert-butyl-3-nitro-phenyl)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(4-tert-butyl-3-nitro-phenyl)-4-oxidanylidene-butanoic acid Openeye Name: 4-(4-tert-butyl-3-nitro-phenyl)-4-oxo-butanoic acid CAS Name: 4-(4-tert-butyl-3-nitrophenyl)-4-oxobutanoic acid IUPAC Name: 4-(4-tert-butyl-3-nitrophenyl)-4-oxobutanoic acid Traditional Name: 4-(4-tert-butyl-3-nitro-phenyl)-4-keto-butyric acid Formula: C14H17NO5 MolecularWeight: 279.28848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO5/c1-14(2,3)10-5-4-9(8-11(10)15(19)20)12(16)6-7-13(17)18/h4-5,8H,6-7H2,1-3H3,(H,17,18)