3-chloranyl-4-[2-oxidanylidene-2-(1,2,5-trimethylpyrrol-3-yl)ethoxy]benzenecarbonitrile

Systemtic Name: 3-chloranyl-4-[2-oxidanylidene-2-(1,2,5-trimethylpyrrol-3-yl)ethoxy]benzenecarbonitrile Openeye Name: 3-chloro-4-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethoxy]benzonitrile CAS Name: 3-chloro-4-[2-oxo-2-(1,2,5-trimethyl-3-pyrrolyl)ethoxy]benzonitrile IUPAC Name: 3-chloro-4-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethoxy]benzonitrile Traditional Name: 3-chloro-4-[2-keto-2-(1,2,5-trimethylpyrrol-3-yl)ethoxy]benzonitrile Formula: C16H15ClN2O2 MolecularWeight: 302.7555

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C)C)C(=O)COC2=C(C=C(C=C2)C#N)Cl

Isomeric SMILES

CC1=CC(=C(N1C)C)C(=O)COC2=C(C=C(C=C2)C#N)Cl

InChI

InChI=1S/C16H15ClN2O2/c1-10-6-13(11(2)19(10)3)15(20)9-21-16-5-4-12(8-18)7-14(16)17/h4-7H,9H2,1-3H3