methyl 3-[[5-(2-chloranyl-4-methylsulfonyl-phenoxy)-2-nitro-phenyl]amino]propanoate

Systemtic Name: methyl 3-[[5-(2-chloranyl-4-methylsulfonyl-phenoxy)-2-nitro-phenyl]amino]propanoate Openeye Name: methyl 3-[5-(2-chloro-4-methylsulfonyl-phenoxy)-2-nitro-anilino]propanoate CAS Name: 3-[5-(2-chloro-4-methylsulfonylphenoxy)-2-nitroanilino]propanoic acid methyl ester IUPAC Name: methyl 3-[5-(2-chloro-4-methylsulfonylphenoxy)-2-nitroanilino]propanoate Traditional Name: 3-[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:

COC(=O)CCNC1=C(C=CC(=C1)OC2=C(C=C(C=C2)S(=O)(=O)C)Cl)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CCNC1=C(C=CC(=C1)OC2=C(C=C(C=C2)S(=O)(=O)C)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H17ClN2O7S/c1-26-17(21)7-8-19-14-9-11(3-5-15(14)20(22)23)27-16-6-4-12(10-13(16)18)28(2,24)25/h3-6,9-10,19H,7-8H2,1-2H3