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

Systemtic Name: 1-[(3,4-dimethoxyphenyl)methyl]-4,5-dimethyl-5-oxidanyl-2-oxidanylidene-pyrrole-3-carbonitrile Openeye Name: 1-[(3,4-dimethoxyphenyl)methyl]-5-hydroxy-4,5-dimethyl-2-oxo-pyrrole-3-carbonitrile CAS Name: 1-[(3,4-dimethoxyphenyl)methyl]-5-hydroxy-4,5-dimethyl-2-oxo-3-pyrrolecarbonitrile IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl]-5-hydroxy-4,5-dimethyl-2-oxopyrrole-3-carbonitrile Traditional Name: 5-hydroxy-2-keto-4,5-dimethyl-1-veratryl-3-pyrroline-3-carbonitrile Formula: C16H18N2O4 MolecularWeight: 302.32512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C1(C)O)CC2=CC(=C(C=C2)OC)OC)C#N

Isomeric SMILES

CC1=C(C(=O)N(C1(C)O)CC2=CC(=C(C=C2)OC)OC)C#N

InChI

InChI=1S/C16H18N2O4/c1-10-12(8-17)15(19)18(16(10,2)20)9-11-5-6-13(21-3)14(7-11)22-4/h5-7,20H,9H2,1-4H3