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

Systemtic Name: propan-2-yl 4-[[5-(2-chloranyl-4-methylsulfonyl-phenoxy)-2-nitro-phenyl]amino]butanoate Openeye Name: isopropyl 4-[5-(2-chloro-4-methylsulfonyl-phenoxy)-2-nitro-anilino]butanoate CAS Name: 4-[5-(2-chloro-4-methylsulfonylphenoxy)-2-nitroanilino]butanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[5-(2-chloro-4-methylsulfonylphenoxy)-2-nitroanilino]butanoate Traditional Name: 4-[5-(2-chloro-4-mesyl-phenoxy)-2-nitro-anilino]butyric acid isopropyl ester Formula: C20H23ClN2O7S MolecularWeight: 470.92382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23ClN2O7S/c1-13(2)29-20(24)5-4-10-22-17-11-14(6-8-18(17)23(25)26)30-19-9-7-15(12-16(19)21)31(3,27)28/h6-9,11-13,22H,4-5,10H2,1-3H3