3-[4-(2,2-dimethylbutanoylamino)phenyl]-2-nitro-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[4-(2,2-dimethylbutanoylamino)phenyl]-2-nitro-3-oxidanylidene-propanoic acid Openeye Name: 3-[4-(2,2-dimethylbutanoylamino)phenyl]-2-nitro-3-oxo-propanoic acid CAS Name: 3-[4-[(2,2-dimethyl-1-oxobutyl)amino]phenyl]-2-nitro-3-oxopropanoic acid IUPAC Name: 3-[4-(2,2-dimethylbutanoylamino)phenyl]-2-nitro-3-oxopropanoic acid Traditional Name: 3-[4-(2,2-dimethylbutanoylamino)phenyl]-3-keto-2-nitro-propionic acid Formula: C15H18N2O6 MolecularWeight: 322.31322

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)NC1=CC=C(C=C1)C(=O)C(C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCC(C)(C)C(=O)NC1=CC=C(C=C1)C(=O)C(C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C15H18N2O6/c1-4-15(2,3)14(21)16-10-7-5-9(6-8-10)12(18)11(13(19)20)17(22)23/h5-8,11H,4H2,1-3H3,(H,16,21)(H,19,20)