4-[(3,4-dihydro-1H-isochromen-1-ylmethylamino)methylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[(3,4-dihydro-1H-isochromen-1-ylmethylamino)methylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[(isochroman-1-ylmethylamino)methylene]cyclohexa-2,5-dien-1-one CAS Name: 4-[(3,4-dihydro-1H-2-benzopyran-1-ylmethylamino)methylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[(3,4-dihydro-1H-isochromen-1-ylmethylamino)methylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[(isochroman-1-ylmethylamino)methylene]cyclohexa-2,5-dien-1-one Formula: C17H17NO2 MolecularWeight: 267.32238

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(C2=CC=CC=C21)CNC=C3C=CC(=O)C=C3

Isomeric SMILES

C1COC(C2=CC=CC=C21)CNC=C3C=CC(=O)C=C3

InChI

InChI=1S/C17H17NO2/c19-15-7-5-13(6-8-15)11-18-12-17-16-4-2-1-3-14(16)9-10-20-17/h1-8,11,17-18H,9-10,12H2