(E)-3-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(furan-2-ylcarbonyl)prop-2-enenitrile

Systemtic Name: (E)-3-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(furan-2-ylcarbonyl)prop-2-enenitrile Openeye Name: (E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(furan-2-carbonyl)prop-2-enenitrile CAS Name: (E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-[2-furanyl(oxo)methyl]-2-propenenitrile IUPAC Name: (E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(furan-2-carbonyl)prop-2-enenitrile Traditional Name: (E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(2-furoyl)acrylonitrile Formula: C17H12ClNO4 MolecularWeight: 329.73448

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)C=C(C#N)C(=O)C3=CC=CO3)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)/C=C(\C#N)/C(=O)C3=CC=CO3)Cl)OC1

InChI

InChI=1S/C17H12ClNO4/c18-13-8-11(9-15-17(13)23-6-2-5-22-15)7-12(10-19)16(20)14-3-1-4-21-14/h1,3-4,7-9H,2,5-6H2/b12-7+