1-methyl-4-[(E)-3-[(1S,2R)-2-methylsulfonyl-2-nitro-cyclopropyl]prop-1-enyl]benzene

Systemtic Name: 1-methyl-4-[(E)-3-[(1S,2R)-2-methylsulfonyl-2-nitro-cyclopropyl]prop-1-enyl]benzene Openeye Name: 1-methyl-4-[(E)-3-[(1S,2R)-2-methylsulfonyl-2-nitro-cyclopropyl]prop-1-enyl]benzene CAS Name: 1-methyl-4-[(E)-3-[(1S,2R)-2-methylsulfonyl-2-nitrocyclopropyl]prop-1-enyl]benzene IUPAC Name: 1-methyl-4-[(E)-3-[(1S,2R)-2-methylsulfonyl-2-nitrocyclopropyl]prop-1-enyl]benzene Traditional Name: 1-[(E)-3-[(1S,2R)-2-mesyl-2-nitro-cyclopropyl]prop-1-enyl]-4-methyl-benzene Formula: C14H17NO4S MolecularWeight: 295.35408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=CCC2CC2([N+](=O)[O-])S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)/C=C/C[C@H]2C[C@@]2([N+](=O)[O-])S(=O)(=O)C

InChI

InChI=1S/C14H17NO4S/c1-11-6-8-12(9-7-11)4-3-5-13-10-14(13,15(16)17)20(2,18)19/h3-4,6-9,13H,5,10H2,1-2H3/b4-3+/t13-,14+/m0/s1