4-(3-methoxyphenyl)-1-[2,2,2-tris(chloranyl)-1-oxidanyl-ethyl]pyrrole-3-carbonitrile

Systemtic Name: 4-(3-methoxyphenyl)-1-[2,2,2-tris(chloranyl)-1-oxidanyl-ethyl]pyrrole-3-carbonitrile Openeye Name: 4-(3-methoxyphenyl)-1-(2,2,2-trichloro-1-hydroxy-ethyl)pyrrole-3-carbonitrile CAS Name: 4-(3-methoxyphenyl)-1-(2,2,2-trichloro-1-hydroxyethyl)-3-pyrrolecarbonitrile IUPAC Name: 4-(3-methoxyphenyl)-1-(2,2,2-trichloro-1-hydroxyethyl)pyrrole-3-carbonitrile Traditional Name: 4-(3-methoxyphenyl)-1-(2,2,2-trichloro-1-hydroxy-ethyl)pyrrole-3-carbonitrile Formula: C14H11Cl3N2O2 MolecularWeight: 345.60834

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=CN(C=C2C#N)C(C(Cl)(Cl)Cl)O

Isomeric SMILES

COC1=CC=CC(=C1)C2=CN(C=C2C#N)C(C(Cl)(Cl)Cl)O

InChI

InChI=1S/C14H11Cl3N2O2/c1-21-11-4-2-3-9(5-11)12-8-19(7-10(12)6-18)13(20)14(15,16)17/h2-5,7-8,13,20H,1H3