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

Systemtic Name: prop-2-enyl 3-[[5-(2-chloranyl-4-propan-2-ylsulfonyl-phenoxy)-2-nitro-phenyl]amino]propanoate Openeye Name: allyl 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 prop-2-enyl ester IUPAC Name: prop-2-enyl 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 allyl ester Formula: C21H23ClN2O7S MolecularWeight: 482.93452

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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)OCC=C)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN2O7S/c1-4-11-30-21(25)9-10-23-18-12-15(5-7-19(18)24(26)27)31-20-8-6-16(13-17(20)22)32(28,29)14(2)3/h4-8,12-14,23H,1,9-11H2,2-3H3