ethyl (2R)-3-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylimino]-2-cyano-propanoate

Systemtic Name: ethyl (2R)-3-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylimino]-2-cyano-propanoate Openeye Name: ethyl (2R)-3-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylimino]-2-cyano-propanoate CAS Name: (2R)-3-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylimino]-2-cyanopropanoic acid ethyl ester IUPAC Name: ethyl (2R)-3-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylimino]-2-cyanopropanoate Traditional Name: (2R)-3-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylimino]-2-cyano-propionic acid ethyl ester Formula: C16H17ClN2O4 MolecularWeight: 336.77018

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C=NCC1=CC2=C(C(=C1)Cl)OCCCO2)C#N

Isomeric SMILES

CCOC(=O)[C@H](C=NCC1=CC2=C(C(=C1)Cl)OCCCO2)C#N

InChI

InChI=1S/C16H17ClN2O4/c1-2-21-16(20)12(8-18)10-19-9-11-6-13(17)15-14(7-11)22-4-3-5-23-15/h6-7,10,12H,2-5,9H2,1H3/t12-/m0/s1