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

Systemtic Name: prop-2-enyl 3-[[5-(2-chloranyl-4-methylsulfonyl-phenoxy)-2-nitro-phenyl]amino]propanoate Openeye Name: allyl 3-[5-(2-chloro-4-methylsulfonyl-phenoxy)-2-nitro-anilino]propanoate CAS Name: 3-[5-(2-chloro-4-methylsulfonylphenoxy)-2-nitroanilino]propanoic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 3-[5-(2-chloro-4-methylsulfonylphenoxy)-2-nitroanilino]propanoate Traditional Name: 3-[5-(2-chloro-4-mesyl-phenoxy)-2-nitro-anilino]propionic acid allyl ester Formula: C19H19ClN2O7S MolecularWeight: 454.88136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19ClN2O7S/c1-3-10-28-19(23)8-9-21-16-11-13(4-6-17(16)22(24)25)29-18-7-5-14(12-15(18)20)30(2,26)27/h3-7,11-12,21H,1,8-10H2,2H3