1-methyl-4-[(E)-3-nitrobut-2-en-2-yl]sulfonyl-benzene

Systemtic Name: 1-methyl-4-[(E)-3-nitrobut-2-en-2-yl]sulfonyl-benzene Openeye Name: 1-methyl-4-[(E)-1-methyl-2-nitro-prop-1-enyl]sulfonyl-benzene CAS Name: 1-methyl-4-[(E)-3-nitrobut-2-en-2-yl]sulfonylbenzene IUPAC Name: 1-methyl-4-[(E)-3-nitrobut-2-en-2-yl]sulfonylbenzene Traditional Name: 1-methyl-4-[(E)-1-methyl-2-nitro-prop-1-enyl]sulfonyl-benzene Formula: C11H13NO4S MolecularWeight: 255.29022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13NO4S/c1-8-4-6-11(7-5-8)17(15,16)10(3)9(2)12(13)14/h4-7H,1-3H3/b10-9+