2-[2-(2,5-dimethoxyphenyl)-3-ethanoyl-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]ethanenitrile

Systemtic Name: 2-[2-(2,5-dimethoxyphenyl)-3-ethanoyl-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]ethanenitrile Openeye Name: 2-[3-acetyl-2-(2,5-dimethoxyphenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]acetonitrile CAS Name: 2-[3-acetyl-2-(2,5-dimethoxyphenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]acetonitrile IUPAC Name: 2-[3-acetyl-2-(2,5-dimethoxyphenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]acetonitrile Traditional Name: 2-[3-acetyl-2-(2,5-dimethoxyphenyl)-4-hydroxy-5-keto-3-pyrrolin-1-yl]acetonitrile Formula: C16H16N2O5 MolecularWeight: 316.30864

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C(=O)N(C1C2=C(C=CC(=C2)OC)OC)CC#N)O

Isomeric SMILES

CC(=O)C1=C(C(=O)N(C1C2=C(C=CC(=C2)OC)OC)CC#N)O

InChI

InChI=1S/C16H16N2O5/c1-9(19)13-14(18(7-6-17)16(21)15(13)20)11-8-10(22-2)4-5-12(11)23-3/h4-5,8,14,20H,7H2,1-3H3