4-imidazol-1-yl-2,2-dimethyl-4-(4-nitrophenoxy)-3-oxidanylidene-butanoic acid

Systemtic Name: 4-imidazol-1-yl-2,2-dimethyl-4-(4-nitrophenoxy)-3-oxidanylidene-butanoic acid Openeye Name: 4-imidazol-1-yl-2,2-dimethyl-4-(4-nitrophenoxy)-3-oxo-butanoic acid CAS Name: 4-(1-imidazolyl)-2,2-dimethyl-4-(4-nitrophenoxy)-3-oxobutanoic acid IUPAC Name: 4-imidazol-1-yl-2,2-dimethyl-4-(4-nitrophenoxy)-3-oxobutanoic acid Traditional Name: 4-imidazol-1-yl-3-keto-2,2-dimethyl-4-(4-nitrophenoxy)butyric acid Formula: C15H15N3O6 MolecularWeight: 333.2961

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)C(N1C=CN=C1)OC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(C)(C(=O)C(N1C=CN=C1)OC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C15H15N3O6/c1-15(2,14(20)21)12(19)13(17-8-7-16-9-17)24-11-5-3-10(4-6-11)18(22)23/h3-9,13H,1-2H3,(H,20,21)