methyl (E)-3-(5-methyl-2-nitro-phenyl)sulfonylprop-2-enoate

Systemtic Name: methyl (E)-3-(5-methyl-2-nitro-phenyl)sulfonylprop-2-enoate Openeye Name: methyl (E)-3-(5-methyl-2-nitro-phenyl)sulfonylprop-2-enoate CAS Name: (E)-3-(5-methyl-2-nitrophenyl)sulfonyl-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-(5-methyl-2-nitrophenyl)sulfonylprop-2-enoate Traditional Name: (E)-3-(5-methyl-2-nitro-phenyl)sulfonylacrylic acid methyl ester Formula: C11H11NO6S MolecularWeight: 285.27314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11NO6S/c1-8-3-4-9(12(14)15)10(7-8)19(16,17)6-5-11(13)18-2/h3-7H,1-2H3/b6-5+