4-(4-ethyl-3-nitro-phenyl)-3,3-dimethyl-4-oxidanylidene-butanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C(=O)C(C)(C)CC(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C=C(C=C1)C(=O)C(C)(C)CC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C14H17NO5/c1-4-9-5-6-10(7-11(9)15(19)20)13(18)14(2,3)8-12(16)17/h5-7H,4,8H2,1-3H3,(H,16,17)