methyl 2-[[5-(2-chloranyl-4-methylsulfonyl-phenoxy)-2-nitro-phenyl]amino]propanoate

Systemtic Name: methyl 2-[[5-(2-chloranyl-4-methylsulfonyl-phenoxy)-2-nitro-phenyl]amino]propanoate Openeye Name: methyl 2-[5-(2-chloro-4-methylsulfonyl-phenoxy)-2-nitro-anilino]propanoate CAS Name: 2-[5-(2-chloro-4-methylsulfonylphenoxy)-2-nitroanilino]propanoic acid methyl ester IUPAC Name: methyl 2-[5-(2-chloro-4-methylsulfonylphenoxy)-2-nitroanilino]propanoate Traditional Name: 2-[5-(2-chloro-4-mesyl-phenoxy)-2-nitro-anilino]propionic acid methyl ester Formula: C17H17ClN2O7S MolecularWeight: 428.84408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)NC1=C(C=CC(=C1)OC2=C(C=C(C=C2)S(=O)(=O)C)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)OC)NC1=C(C=CC(=C1)OC2=C(C=C(C=C2)S(=O)(=O)C)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H17ClN2O7S/c1-10(17(21)26-2)19-14-8-11(4-6-15(14)20(22)23)27-16-7-5-12(9-13(16)18)28(3,24)25/h4-10,19H,1-3H3