4-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methoxy]-3-methoxy-benzenecarbonitrile

Systemtic Name: 4-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methoxy]-3-methoxy-benzenecarbonitrile Openeye Name: 4-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methoxy]-3-methoxy-benzonitrile CAS Name: 4-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methoxy]-3-methoxybenzonitrile IUPAC Name: 4-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methoxy]-3-methoxybenzonitrile Traditional Name: 4-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methoxy]-3-methoxy-benzonitrile Formula: C18H16ClNO4 MolecularWeight: 345.77694

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C#N)OCC2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

COC1=C(C=CC(=C1)C#N)OCC2=CC3=C(C(=C2)Cl)OCCCO3

InChI

InChI=1S/C18H16ClNO4/c1-21-16-8-12(10-20)3-4-15(16)24-11-13-7-14(19)18-17(9-13)22-5-2-6-23-18/h3-4,7-9H,2,5-6,11H2,1H3