2-[(2,3-dimethyl-5-nitro-phenyl)sulfonyl-methyl-amino]ethanoate

Systemtic Name: 2-[(2,3-dimethyl-5-nitro-phenyl)sulfonyl-methyl-amino]ethanoate Openeye Name: 2-[(2,3-dimethyl-5-nitro-phenyl)sulfonyl-methyl-amino]acetate CAS Name: 2-[(2,3-dimethyl-5-nitrophenyl)sulfonyl-methylamino]acetate IUPAC Name: 2-[(2,3-dimethyl-5-nitrophenyl)sulfonyl-methylamino]acetate Traditional Name: 2-[(2,3-dimethyl-5-nitro-phenyl)sulfonyl-methyl-amino]acetate Formula: C11H13N2O6S- MolecularWeight: 301.29572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)S(=O)(=O)N(C)CC(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1C)S(=O)(=O)N(C)CC(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H14N2O6S/c1-7-4-9(13(16)17)5-10(8(7)2)20(18,19)12(3)6-11(14)15/h4-5H,6H2,1-3H3,(H,14,15)/p-1