4-[[[2-(3,4-dimethoxyphenyl)-2-oxidanyl-ethyl]amino]methylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[[[2-(3,4-dimethoxyphenyl)-2-oxidanyl-ethyl]amino]methylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[[[2-(3,4-dimethoxyphenyl)-2-hydroxy-ethyl]amino]methylene]cyclohexa-2,5-dien-1-one CAS Name: 4-[[[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]amino]methylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[[[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]amino]methylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[[[2-(3,4-dimethoxyphenyl)-2-hydroxy-ethyl]amino]methylene]cyclohexa-2,5-dien-1-one Formula: C17H19NO4 MolecularWeight: 301.33706

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CNC=C2C=CC(=O)C=C2)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(CNC=C2C=CC(=O)C=C2)O)OC

InChI

InChI=1S/C17H19NO4/c1-21-16-8-5-13(9-17(16)22-2)15(20)11-18-10-12-3-6-14(19)7-4-12/h3-10,15,18,20H,11H2,1-2H3