2-[[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]amino]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]amino]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[3,5-dimethyl-4-(nitromethylsulfonyl)anilino]-2-oxo-acetic acid CAS Name: 2-[3,5-dimethyl-4-(nitromethylsulfonyl)anilino]-2-oxoacetic acid IUPAC Name: 2-[3,5-dimethyl-4-(nitromethylsulfonyl)anilino]-2-oxoacetic acid Traditional Name: 2-[3,5-dimethyl-4-(nitromethylsulfonyl)anilino]-2-keto-acetic acid Formula: C11H12N2O7S MolecularWeight: 316.28718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1S(=O)(=O)C[N+](=O)[O-])C)NC(=O)C(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1S(=O)(=O)C[N+](=O)[O-])C)NC(=O)C(=O)O

InChI

InChI=1S/C11H12N2O7S/c1-6-3-8(12-10(14)11(15)16)4-7(2)9(6)21(19,20)5-13(17)18/h3-4H,5H2,1-2H3,(H,12,14)(H,15,16)