3-isocyano-5-[(E)-3-oxidanyl-5-oxidanylidene-7-phenylmethoxy-hept-3-en-4-yl]oxy-benzenecarbonitrile

Systemtic Name: 3-isocyano-5-[(E)-3-oxidanyl-5-oxidanylidene-7-phenylmethoxy-hept-3-en-4-yl]oxy-benzenecarbonitrile Openeye Name: 3-[(E)-1-(3-benzyloxypropanoyl)-2-hydroxy-but-1-enoxy]-5-isocyano-benzonitrile CAS Name: 3-[(E)-3-hydroxy-5-oxo-7-phenylmethoxyhept-3-en-4-yl]oxy-5-isocyanobenzonitrile IUPAC Name: 3-[(E)-3-hydroxy-5-oxo-7-phenylmethoxyhept-3-en-4-yl]oxy-5-isocyanobenzonitrile Traditional Name: 3-[(E)-1-(3-benzoxypropanoyl)-2-hydroxy-but-1-enoxy]-5-isocyano-benzonitrile Formula: C22H20N2O4 MolecularWeight: 376.4052

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C(C(=O)CCOCC1=CC=CC=C1)OC2=CC(=CC(=C2)[N+]#[C-])C#N)O

Isomeric SMILES

CC/C(=C(/C(=O)CCOCC1=CC=CC=C1)\OC2=CC(=CC(=C2)[N+]#[C-])C#N)/O

InChI

InChI=1S/C22H20N2O4/c1-3-20(25)22(28-19-12-17(14-23)11-18(13-19)24-2)21(26)9-10-27-15-16-7-5-4-6-8-16/h4-8,11-13,25H,3,9-10,15H2,1H3/b22-20+