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

Systemtic Name: 3-(3-ethoxy-5-nitro-4-oxidanyl-phenyl)-2-(4-methylphenyl)sulfonyl-prop-2-enenitrile Openeye Name: 3-(3-ethoxy-4-hydroxy-5-nitro-phenyl)-2-(p-tolylsulfonyl)prop-2-enenitrile CAS Name: 3-(3-ethoxy-4-hydroxy-5-nitrophenyl)-2-(4-methylphenyl)sulfonyl-2-propenenitrile IUPAC Name: 3-(3-ethoxy-4-hydroxy-5-nitrophenyl)-2-(4-methylphenyl)sulfonylprop-2-enenitrile Traditional Name: 3-(3-ethoxy-4-hydroxy-5-nitro-phenyl)-2-tosyl-acrylonitrile Formula: C18H16N2O6S MolecularWeight: 388.39444

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1O)[N+](=O)[O-])C=C(C#N)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCOC1=CC(=CC(=C1O)[N+](=O)[O-])C=C(C#N)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C18H16N2O6S/c1-3-26-17-10-13(9-16(18(17)21)20(22)23)8-15(11-19)27(24,25)14-6-4-12(2)5-7-14/h4-10,21H,3H2,1-2H3