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

Systemtic Name: 2-(2-methoxyethoxy)ethyl 3-[[5-(2-chloranyl-4-propan-2-ylsulfonyl-phenoxy)-2-nitro-phenyl]amino]propanoate Openeye Name: 2-(2-methoxyethoxy)ethyl 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-(2-methoxyethoxy)ethyl ester IUPAC Name: 2-(2-methoxyethoxy)ethyl 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-(2-methoxyethoxy)ethyl ester Formula: C23H29ClN2O9S MolecularWeight: 545.00236

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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)OCCOCCOC)Cl

Isomeric SMILES

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

InChI

InChI=1S/C23H29ClN2O9S/c1-16(2)36(30,31)18-5-7-22(19(24)15-18)35-17-4-6-21(26(28)29)20(14-17)25-9-8-23(27)34-13-12-33-11-10-32-3/h4-7,14-16,25H,8-13H2,1-3H3