ethyl (2Z)-2-[(4-chlorophenyl)-(4-methylsulfonylphenyl)methylidene]-4-nitrooxy-butanoate

Systemtic Name: ethyl (2Z)-2-[(4-chlorophenyl)-(4-methylsulfonylphenyl)methylidene]-4-nitrooxy-butanoate Openeye Name: ethyl (2Z)-2-[(4-chlorophenyl)-(4-methylsulfonylphenyl)methylene]-4-nitrooxy-butanoate CAS Name: (2Z)-2-[(4-chlorophenyl)-(4-methylsulfonylphenyl)methylidene]-4-nitrooxybutanoic acid ethyl ester IUPAC Name: ethyl (2Z)-2-[(4-chlorophenyl)-(4-methylsulfonylphenyl)methylidene]-4-nitrooxybutanoate Traditional Name: (Z)-3-(4-chlorophenyl)-3-(4-mesylphenyl)-2-(2-nitrooxyethyl)acrylic acid ethyl ester Formula: C20H20ClNO7S MolecularWeight: 453.8933

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(C1=CC=C(C=C1)S(=O)(=O)C)C2=CC=C(C=C2)Cl)CCO[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)/C(=C(/C1=CC=C(C=C1)S(=O)(=O)C)\C2=CC=C(C=C2)Cl)/CCO[N+](=O)[O-]

InChI

InChI=1S/C20H20ClNO7S/c1-3-28-20(23)18(12-13-29-22(24)25)19(14-4-8-16(21)9-5-14)15-6-10-17(11-7-15)30(2,26)27/h4-11H,3,12-13H2,1-2H3/b19-18+