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

Systemtic Name: 2-(2-methoxyethoxy)ethyl 3-[[5-(2-chloranyl-4-methylsulfonyl-phenoxy)-2-nitro-phenyl]amino]propanoate Openeye Name: 2-(2-methoxyethoxy)ethyl 3-[5-(2-chloro-4-methylsulfonyl-phenoxy)-2-nitro-anilino]propanoate CAS Name: 3-[5-(2-chloro-4-methylsulfonylphenoxy)-2-nitroanilino]propanoic acid 2-(2-methoxyethoxy)ethyl ester IUPAC Name: 2-(2-methoxyethoxy)ethyl 3-[5-(2-chloro-4-methylsulfonylphenoxy)-2-nitroanilino]propanoate Traditional Name: 3-[5-(2-chloro-4-mesyl-phenoxy)-2-nitro-anilino]propionic acid 2-(2-methoxyethoxy)ethyl ester Formula: C21H25ClN2O9S MolecularWeight: 516.9492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN2O9S/c1-30-9-10-31-11-12-32-21(25)7-8-23-18-13-15(3-5-19(18)24(26)27)33-20-6-4-16(14-17(20)22)34(2,28)29/h3-6,13-14,23H,7-12H2,1-2H3