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

Systemtic Name: 2-(4-chlorophenyl)sulfonyl-3-(3-methoxy-5-nitro-4-oxidanyl-phenyl)prop-2-enenitrile Openeye Name: 2-(4-chlorophenyl)sulfonyl-3-(4-hydroxy-3-methoxy-5-nitro-phenyl)prop-2-enenitrile CAS Name: 2-(4-chlorophenyl)sulfonyl-3-(4-hydroxy-3-methoxy-5-nitrophenyl)-2-propenenitrile IUPAC Name: 2-(4-chlorophenyl)sulfonyl-3-(4-hydroxy-3-methoxy-5-nitrophenyl)prop-2-enenitrile Traditional Name: 2-(4-chlorophenyl)sulfonyl-3-(4-hydroxy-3-methoxy-5-nitro-phenyl)acrylonitrile Formula: C16H11ClN2O6S MolecularWeight: 394.78634

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)[N+](=O)[O-])C=C(C#N)S(=O)(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

COC1=CC(=CC(=C1O)[N+](=O)[O-])C=C(C#N)S(=O)(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H11ClN2O6S/c1-25-15-8-10(7-14(16(15)20)19(21)22)6-13(9-18)26(23,24)12-4-2-11(17)3-5-12/h2-8,20H,1H3