2-[4-(2,2-dimethylbutanoylamino)phenyl]sulfonyl-2-nitro-ethanoic acid

Systemtic Name: 2-[4-(2,2-dimethylbutanoylamino)phenyl]sulfonyl-2-nitro-ethanoic acid Openeye Name: 2-[4-(2,2-dimethylbutanoylamino)phenyl]sulfonyl-2-nitro-acetic acid CAS Name: 2-[4-[(2,2-dimethyl-1-oxobutyl)amino]phenyl]sulfonyl-2-nitroacetic acid IUPAC Name: 2-[4-(2,2-dimethylbutanoylamino)phenyl]sulfonyl-2-nitroacetic acid Traditional Name: 2-[4-(2,2-dimethylbutanoylamino)phenyl]sulfonyl-2-nitro-acetic acid Formula: C14H18N2O7S MolecularWeight: 358.36692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O7S/c1-4-14(2,3)13(19)15-9-5-7-10(8-6-9)24(22,23)11(12(17)18)16(20)21/h5-8,11H,4H2,1-3H3,(H,15,19)(H,17,18)