ethyl 2-[(2-methyl-5-nitro-phenyl)-methylsulfonyl-amino]propanoate

Systemtic Name: ethyl 2-[(2-methyl-5-nitro-phenyl)-methylsulfonyl-amino]propanoate Openeye Name: ethyl 2-(2-methyl-N-methylsulfonyl-5-nitro-anilino)propanoate CAS Name: 2-(2-methyl-N-methylsulfonyl-5-nitroanilino)propanoic acid ethyl ester IUPAC Name: ethyl 2-(2-methyl-N-methylsulfonyl-5-nitroanilino)propanoate Traditional Name: 2-(N-mesyl-2-methyl-5-nitro-anilino)propionic acid ethyl ester Formula: C13H18N2O6S MolecularWeight: 330.35682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O6S/c1-5-21-13(16)10(3)14(22(4,19)20)12-8-11(15(17)18)7-6-9(12)2/h6-8,10H,5H2,1-4H3