1-[2-(3,4-dimethoxyphenyl)ethyl]-4,5-dimethyl-5-oxidanyl-2-oxidanylidene-pyrrole-3-carbonitrile

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-4,5-dimethyl-5-oxidanyl-2-oxidanylidene-pyrrole-3-carbonitrile Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-5-hydroxy-4,5-dimethyl-2-oxo-pyrrole-3-carbonitrile CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-5-hydroxy-4,5-dimethyl-2-oxo-3-pyrrolecarbonitrile IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-5-hydroxy-4,5-dimethyl-2-oxopyrrole-3-carbonitrile Traditional Name: 1-homoveratryl-5-hydroxy-2-keto-4,5-dimethyl-3-pyrroline-3-carbonitrile Formula: C17H20N2O4 MolecularWeight: 316.3517

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C1(C)O)CCC2=CC(=C(C=C2)OC)OC)C#N

Isomeric SMILES

CC1=C(C(=O)N(C1(C)O)CCC2=CC(=C(C=C2)OC)OC)C#N

InChI

InChI=1S/C17H20N2O4/c1-11-13(10-18)16(20)19(17(11,2)21)8-7-12-5-6-14(22-3)15(9-12)23-4/h5-6,9,21H,7-8H2,1-4H3