(E)-3-methylsulfonyl-3-(3-nitrophenyl)prop-2-enenitrile

Systemtic Name: (E)-3-methylsulfonyl-3-(3-nitrophenyl)prop-2-enenitrile Openeye Name: (E)-3-methylsulfonyl-3-(3-nitrophenyl)prop-2-enenitrile CAS Name: (E)-3-methylsulfonyl-3-(3-nitrophenyl)-2-propenenitrile IUPAC Name: (E)-3-methylsulfonyl-3-(3-nitrophenyl)prop-2-enenitrile Traditional Name: (E)-3-mesyl-3-(3-nitrophenyl)acrylonitrile Formula: C10H8N2O4S MolecularWeight: 252.24652

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C(=CC#N)C1=CC(=CC=C1)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)/C(=C/C#N)/C1=CC(=CC=C1)[N+](=O)[O-]

InChI

InChI=1S/C10H8N2O4S/c1-17(15,16)10(5-6-11)8-3-2-4-9(7-8)12(13)14/h2-5,7H,1H3/b10-5+