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

Systemtic Name: 6-[[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]methylidene]cyclohexa-2,4-dien-1-one Openeye Name: 6-[[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]methylene]cyclohexa-2,4-dien-1-one CAS Name: 6-[[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]methylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]methylidene]cyclohexa-2,4-dien-1-one Traditional Name: 6-[[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]methylene]cyclohexa-2,4-dien-1-one Formula: C17H16ClNO3 MolecularWeight: 317.76684

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CNC=C3C=CC=CC3=O)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CNC=C3C=CC=CC3=O)Cl)OC1

InChI

InChI=1S/C17H16ClNO3/c18-14-8-12(9-16-17(14)22-7-3-6-21-16)10-19-11-13-4-1-2-5-15(13)20/h1-2,4-5,8-9,11,19H,3,6-7,10H2