6-[[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]methylidene]-4-methoxy-cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]methylidene]-4-methoxy-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]methylene]-4-methoxy-cyclohexa-2,4-dien-1-one CAS Name: 6-[[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]methylidene]-4-methoxy-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]methylidene]-4-methoxycyclohexa-2,4-dien-1-one Traditional Name: 6-[[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]methylene]-4-methoxy-cyclohexa-2,4-dien-1-one Formula: C18H18ClNO4 MolecularWeight: 347.79282

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CNCC2=CC3=C(C(=C2)Cl)OCCCO3)C(=O)C=C1

Isomeric SMILES

COC1=CC(=CNCC2=CC3=C(C(=C2)Cl)OCCCO3)C(=O)C=C1

InChI

InChI=1S/C18H18ClNO4/c1-22-14-3-4-16(21)13(9-14)11-20-10-12-7-15(19)18-17(8-12)23-5-2-6-24-18/h3-4,7-9,11,20H,2,5-6,10H2,1H3