2-[(4,5-dimethyl-2-nitro-phenyl)sulfonyl-methyl-amino]ethanoic acid

Systemtic Name: 2-[(4,5-dimethyl-2-nitro-phenyl)sulfonyl-methyl-amino]ethanoic acid Openeye Name: 2-[(4,5-dimethyl-2-nitro-phenyl)sulfonyl-methyl-amino]acetic acid CAS Name: 2-[(4,5-dimethyl-2-nitrophenyl)sulfonyl-methylamino]acetic acid IUPAC Name: 2-[(4,5-dimethyl-2-nitrophenyl)sulfonyl-methylamino]acetic acid Traditional Name: 2-[(4,5-dimethyl-2-nitro-phenyl)sulfonyl-methyl-amino]acetic acid Formula: C11H14N2O6S MolecularWeight: 302.30366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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