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

Systemtic Name: methyl 2-[(4,5-dimethyl-2-nitro-phenyl)sulfonyl-methyl-amino]ethanoate Openeye Name: methyl 2-[(4,5-dimethyl-2-nitro-phenyl)sulfonyl-methyl-amino]acetate CAS Name: 2-[(4,5-dimethyl-2-nitrophenyl)sulfonyl-methylamino]acetic acid methyl ester IUPAC Name: methyl 2-[(4,5-dimethyl-2-nitrophenyl)sulfonyl-methylamino]acetate Traditional Name: 2-[(4,5-dimethyl-2-nitro-phenyl)sulfonyl-methyl-amino]acetic acid methyl ester Formula: C12H16N2O6S MolecularWeight: 316.33024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O6S/c1-8-5-10(14(16)17)11(6-9(8)2)21(18,19)13(3)7-12(15)20-4/h5-6H,7H2,1-4H3