tert-butyl (E)-3-[2-(4-methylphenyl)sulfinyl-5-nitro-phenyl]prop-2-enoate

Systemtic Name: tert-butyl (E)-3-[2-(4-methylphenyl)sulfinyl-5-nitro-phenyl]prop-2-enoate Openeye Name: tert-butyl (E)-3-[5-nitro-2-(p-tolylsulfinyl)phenyl]prop-2-enoate CAS Name: (E)-3-[2-(4-methylphenyl)sulfinyl-5-nitrophenyl]-2-propenoic acid tert-butyl ester IUPAC Name: tert-butyl (E)-3-[2-(4-methylphenyl)sulfinyl-5-nitrophenyl]prop-2-enoate Traditional Name: (E)-3-[5-nitro-2-(p-tolylsulfinyl)phenyl]acrylic acid tert-butyl ester Formula: C20H21NO5S MolecularWeight: 387.44944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)C2=C(C=C(C=C2)[N+](=O)[O-])C=CC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)C2=C(C=C(C=C2)[N+](=O)[O-])/C=C/C(=O)OC(C)(C)C

InChI

InChI=1S/C20H21NO5S/c1-14-5-9-17(10-6-14)27(25)18-11-8-16(21(23)24)13-15(18)7-12-19(22)26-20(2,3)4/h5-13H,1-4H3/b12-7+