2,3-dimethyl-6-oxidanyl-5-[3-oxidanylidene-3-(3,4,5-trimethoxyphenyl)propanoyl]benzenecarbonitrile

Systemtic Name: 2,3-dimethyl-6-oxidanyl-5-[3-oxidanylidene-3-(3,4,5-trimethoxyphenyl)propanoyl]benzenecarbonitrile Openeye Name: 2-hydroxy-5,6-dimethyl-3-[3-oxo-3-(3,4,5-trimethoxyphenyl)propanoyl]benzonitrile CAS Name: 3-[1,3-dioxo-3-(3,4,5-trimethoxyphenyl)propyl]-2-hydroxy-5,6-dimethylbenzonitrile IUPAC Name: 2-hydroxy-5,6-dimethyl-3-[3-oxo-3-(3,4,5-trimethoxyphenyl)propanoyl]benzonitrile Traditional Name: 2-hydroxy-3-[3-keto-3-(3,4,5-trimethoxyphenyl)propanoyl]-5,6-dimethyl-benzonitrile Formula: C21H21NO6 MolecularWeight: 383.39454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO6/c1-11-6-14(20(25)15(10-22)12(11)2)17(24)9-16(23)13-7-18(26-3)21(28-5)19(8-13)27-4/h6-8,25H,9H2,1-5H3