3-(3-methoxy-5-nitro-4-oxidanyl-phenyl)-2-(4-methylphenyl)sulfonyl-prop-2-enenitrile

Systemtic Name: 3-(3-methoxy-5-nitro-4-oxidanyl-phenyl)-2-(4-methylphenyl)sulfonyl-prop-2-enenitrile Openeye Name: 3-(4-hydroxy-3-methoxy-5-nitro-phenyl)-2-(p-tolylsulfonyl)prop-2-enenitrile CAS Name: 3-(4-hydroxy-3-methoxy-5-nitrophenyl)-2-(4-methylphenyl)sulfonyl-2-propenenitrile IUPAC Name: 3-(4-hydroxy-3-methoxy-5-nitrophenyl)-2-(4-methylphenyl)sulfonylprop-2-enenitrile Traditional Name: 3-(4-hydroxy-3-methoxy-5-nitro-phenyl)-2-tosyl-acrylonitrile Formula: C17H14N2O6S MolecularWeight: 374.36786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(=CC2=CC(=C(C(=C2)OC)O)[N+](=O)[O-])C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(=CC2=CC(=C(C(=C2)OC)O)[N+](=O)[O-])C#N

InChI

InChI=1S/C17H14N2O6S/c1-11-3-5-13(6-4-11)26(23,24)14(10-18)7-12-8-15(19(21)22)17(20)16(9-12)25-2/h3-9,20H,1-2H3