3-(3-nitrophenyl)-2-sulfonyl-propanenitrile

Systemtic Name: 3-(3-nitrophenyl)-2-sulfonyl-propanenitrile Openeye Name: 3-(3-nitrophenyl)-2-sulfonyl-propanenitrile CAS Name: 3-(3-nitrophenyl)-2-sulfonylpropanenitrile IUPAC Name: 3-(3-nitrophenyl)-2-sulfonylpropanenitrile Traditional Name: 3-(3-nitrophenyl)-2-sulfonyl-propionitrile Formula: C9H6N2O4S MolecularWeight: 238.21994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H6N2O4S/c10-6-9(16(14)15)5-7-2-1-3-8(4-7)11(12)13/h1-4H,5H2