(Z)-2-methylsulfonyl-3-(5-nitro-1H-indol-3-yl)prop-2-enenitrile

Systemtic Name: (Z)-2-methylsulfonyl-3-(5-nitro-1H-indol-3-yl)prop-2-enenitrile Openeye Name: (Z)-2-methylsulfonyl-3-(5-nitro-1H-indol-3-yl)prop-2-enenitrile CAS Name: (Z)-2-methylsulfonyl-3-(5-nitro-1H-indol-3-yl)-2-propenenitrile IUPAC Name: (Z)-2-methylsulfonyl-3-(5-nitro-1H-indol-3-yl)prop-2-enenitrile Traditional Name: (Z)-2-mesyl-3-(5-nitro-1H-indol-3-yl)acrylonitrile Formula: C12H9N3O4S MolecularWeight: 291.28256

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C(=CC1=CNC2=C1C=C(C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

CS(=O)(=O)/C(=C\C1=CNC2=C1C=C(C=C2)[N+](=O)[O-])/C#N

InChI

InChI=1S/C12H9N3O4S/c1-20(18,19)10(6-13)4-8-7-14-12-3-2-9(15(16)17)5-11(8)12/h2-5,7,14H,1H3/b10-4-