3-[2-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethoxy]benzenecarbonitrile

Systemtic Name: 3-[2-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethoxy]benzenecarbonitrile Openeye Name: 3-[2-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethoxy]benzonitrile CAS Name: 3-[2-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethoxy]benzonitrile IUPAC Name: 3-[2-[1-(1,3-benzodioxol-5-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethoxy]benzonitrile Traditional Name: 3-[2-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethoxy]benzonitrile Formula: C22H18N2O4 MolecularWeight: 374.38932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC3=C(C=C2)OCO3)C)C(=O)COC4=CC=CC(=C4)C#N

Isomeric SMILES

CC1=CC(=C(N1C2=CC3=C(C=C2)OCO3)C)C(=O)COC4=CC=CC(=C4)C#N

InChI

InChI=1S/C22H18N2O4/c1-14-8-19(20(25)12-26-18-5-3-4-16(9-18)11-23)15(2)24(14)17-6-7-21-22(10-17)28-13-27-21/h3-10H,12-13H2,1-2H3