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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClNO4/c1-22-15-5-2-4-13(17(15)21)11-20-10-12-8-14(19)18-16(9-12)23-6-3-7-24-18/h2,4-5,8-9,11,20H,3,6-7,10H2,1H3