methyl 4-[(4-methylphenyl)sulfonylmethyl]-5-nitro-2-oxidanyl-3-prop-2-enyl-benzoate

Systemtic Name: methyl 4-[(4-methylphenyl)sulfonylmethyl]-5-nitro-2-oxidanyl-3-prop-2-enyl-benzoate Openeye Name: methyl 3-allyl-2-hydroxy-5-nitro-4-(p-tolylsulfonylmethyl)benzoate CAS Name: 2-hydroxy-4-[(4-methylphenyl)sulfonylmethyl]-5-nitro-3-prop-2-enylbenzoic acid methyl ester IUPAC Name: methyl 2-hydroxy-4-[(4-methylphenyl)sulfonylmethyl]-5-nitro-3-prop-2-enylbenzoate Traditional Name: 3-allyl-2-hydroxy-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(=C2CC=C)O)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC2=C(C=C(C(=C2CC=C)O)C(=O)OC)[N+](=O)[O-]

InChI

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