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

Systemtic Name: 2-(4-chlorophenyl)sulfonyl-3-(3-ethoxy-5-nitro-4-oxidanyl-phenyl)prop-2-enenitrile Openeye Name: 2-(4-chlorophenyl)sulfonyl-3-(3-ethoxy-4-hydroxy-5-nitro-phenyl)prop-2-enenitrile CAS Name: 2-(4-chlorophenyl)sulfonyl-3-(3-ethoxy-4-hydroxy-5-nitrophenyl)-2-propenenitrile IUPAC Name: 2-(4-chlorophenyl)sulfonyl-3-(3-ethoxy-4-hydroxy-5-nitrophenyl)prop-2-enenitrile Traditional Name: 2-(4-chlorophenyl)sulfonyl-3-(3-ethoxy-4-hydroxy-5-nitro-phenyl)acrylonitrile Formula: C17H13ClN2O6S MolecularWeight: 408.81292

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C17H13ClN2O6S/c1-2-26-16-9-11(8-15(17(16)21)20(22)23)7-14(10-19)27(24,25)13-5-3-12(18)4-6-13/h3-9,21H,2H2,1H3