2-methoxyethyl 3-[[5-(2-chloranyl-4-propan-2-ylsulfonyl-phenoxy)-2-nitro-phenyl]amino]propanoate

Systemtic Name: 2-methoxyethyl 3-[[5-(2-chloranyl-4-propan-2-ylsulfonyl-phenoxy)-2-nitro-phenyl]amino]propanoate Openeye Name: 2-methoxyethyl 3-[5-(2-chloro-4-isopropylsulfonyl-phenoxy)-2-nitro-anilino]propanoate CAS Name: 3-[5-(2-chloro-4-propan-2-ylsulfonylphenoxy)-2-nitroanilino]propanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 3-[5-(2-chloro-4-propan-2-ylsulfonylphenoxy)-2-nitroanilino]propanoate Traditional Name: 3-[5-(2-chloro-4-isopropylsulfonyl-phenoxy)-2-nitro-anilino]propionic acid 2-methoxyethyl ester Formula: C21H25ClN2O8S MolecularWeight: 500.9498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN2O8S/c1-14(2)33(28,29)16-5-7-20(17(22)13-16)32-15-4-6-19(24(26)27)18(12-15)23-9-8-21(25)31-11-10-30-3/h4-7,12-14,23H,8-11H2,1-3H3