6-[[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]methylidene]-4-methoxy-cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]methylidene]-4-methoxy-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]methylene]-4-methoxy-cyclohexa-2,4-dien-1-one CAS Name: 6-[[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]methylidene]-4-methoxy-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]methylidene]-4-methoxycyclohexa-2,4-dien-1-one Traditional Name: 6-[[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]methylene]-4-methoxy-cyclohexa-2,4-dien-1-one Formula: C17H17NO4 MolecularWeight: 299.32118

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CNCC2COC3=CC=CC=C3O2)C(=O)C=C1

Isomeric SMILES

COC1=CC(=CNC[C@H]2COC3=CC=CC=C3O2)C(=O)C=C1

InChI

InChI=1S/C17H17NO4/c1-20-13-6-7-15(19)12(8-13)9-18-10-14-11-21-16-4-2-3-5-17(16)22-14/h2-9,14,18H,10-11H2,1H3/t14-/m0/s1