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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C(=C(C(=O)N2CC#N)O)C(=O)C)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2C(=C(C(=O)N2CC#N)O)C(=O)C)O

InChI

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