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

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

CC(C(=O)OCC=C)NC1=C(C=CC(=C1)OC2=C(C=C(C=C2)S(=O)(=O)C)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)OCC=C)NC1=C(C=CC(=C1)OC2=C(C=C(C=C2)S(=O)(=O)C)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H19ClN2O7S/c1-4-9-28-19(23)12(2)21-16-10-13(5-7-17(16)22(24)25)29-18-8-6-14(11-15(18)20)30(3,26)27/h4-8,10-12,21H,1,9H2,2-3H3