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

Systemtic Name: 2,2-dimethyl-4-(4-nitrophenoxy)-3-oxidanylidene-4-(1,2,4-triazol-1-yl)butanoic acid Openeye Name: 2,2-dimethyl-4-(4-nitrophenoxy)-3-oxo-4-(1,2,4-triazol-1-yl)butanoic acid CAS Name: 2,2-dimethyl-4-(4-nitrophenoxy)-3-oxo-4-(1,2,4-triazol-1-yl)butanoic acid IUPAC Name: 2,2-dimethyl-4-(4-nitrophenoxy)-3-oxo-4-(1,2,4-triazol-1-yl)butanoic acid Traditional Name: 3-keto-2,2-dimethyl-4-(4-nitrophenoxy)-4-(1,2,4-triazol-1-yl)butyric acid Formula: C14H14N4O6 MolecularWeight: 334.28416

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)C(N1C=NC=N1)OC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(C)(C(=O)C(N1C=NC=N1)OC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C14H14N4O6/c1-14(2,13(20)21)11(19)12(17-8-15-7-16-17)24-10-5-3-9(4-6-10)18(22)23/h3-8,12H,1-2H3,(H,20,21)