2-methoxyethyl 4-[[5-(2-chloranyl-4-methylsulfonyl-phenoxy)-2-nitro-phenyl]amino]butanoate

Systemtic Name: 2-methoxyethyl 4-[[5-(2-chloranyl-4-methylsulfonyl-phenoxy)-2-nitro-phenyl]amino]butanoate Openeye Name: 2-methoxyethyl 4-[5-(2-chloro-4-methylsulfonyl-phenoxy)-2-nitro-anilino]butanoate CAS Name: 4-[5-(2-chloro-4-methylsulfonylphenoxy)-2-nitroanilino]butanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-[5-(2-chloro-4-methylsulfonylphenoxy)-2-nitroanilino]butanoate Traditional Name: 4-[5-(2-chloro-4-mesyl-phenoxy)-2-nitro-anilino]butyric acid 2-methoxyethyl ester Formula: C20H23ClN2O8S MolecularWeight: 486.92322

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC(=O)CCCNC1=C(C=CC(=C1)OC2=C(C=C(C=C2)S(=O)(=O)C)Cl)[N+](=O)[O-]

Isomeric SMILES

COCCOC(=O)CCCNC1=C(C=CC(=C1)OC2=C(C=C(C=C2)S(=O)(=O)C)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H23ClN2O8S/c1-29-10-11-30-20(24)4-3-9-22-17-12-14(5-7-18(17)23(25)26)31-19-8-6-15(13-16(19)21)32(2,27)28/h5-8,12-13,22H,3-4,9-11H2,1-2H3