methyl 4-[(4-methylphenyl)sulfonylmethyl]-5-nitro-2-prop-2-enoxy-benzoate

Systemtic Name: methyl 4-[(4-methylphenyl)sulfonylmethyl]-5-nitro-2-prop-2-enoxy-benzoate Openeye Name: methyl 2-allyloxy-5-nitro-4-(p-tolylsulfonylmethyl)benzoate CAS Name: 4-[(4-methylphenyl)sulfonylmethyl]-5-nitro-2-prop-2-enoxybenzoic acid methyl ester IUPAC Name: methyl 4-[(4-methylphenyl)sulfonylmethyl]-5-nitro-2-prop-2-enoxybenzoate Traditional Name: 2-allyloxy-5-nitro-4-(tosylmethyl)benzoic acid methyl ester Formula: C19H19NO7S MolecularWeight: 405.42166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC2=C(C=C(C(=C2)OCC=C)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC2=C(C=C(C(=C2)OCC=C)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H19NO7S/c1-4-9-27-18-10-14(17(20(22)23)11-16(18)19(21)26-3)12-28(24,25)15-7-5-13(2)6-8-15/h4-8,10-11H,1,9,12H2,2-3H3