2-[6-[2-[(E)-1-methoxy-3-oxidanylidene-but-1-en-2-yl]phenoxy]pyrimidin-4-yl]oxybenzenecarbonitrile

Systemtic Name: 2-[6-[2-[(E)-1-methoxy-3-oxidanylidene-but-1-en-2-yl]phenoxy]pyrimidin-4-yl]oxybenzenecarbonitrile Openeye Name: 2-[6-[2-[(1E)-1-(methoxymethylene)-2-oxo-propyl]phenoxy]pyrimidin-4-yl]oxybenzonitrile CAS Name: 2-[[6-[2-[(E)-1-methoxy-3-oxobut-1-en-2-yl]phenoxy]-4-pyrimidinyl]oxy]benzonitrile IUPAC Name: 2-[6-[2-[(E)-1-methoxy-3-oxobut-1-en-2-yl]phenoxy]pyrimidin-4-yl]oxybenzonitrile Traditional Name: 2-[6-[2-[(E)-1-acetyl-2-methoxy-vinyl]phenoxy]pyrimidin-4-yl]oxybenzonitrile Formula: C22H17N3O4 MolecularWeight: 387.38808

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=COC)C1=CC=CC=C1OC2=NC=NC(=C2)OC3=CC=CC=C3C#N

Isomeric SMILES

CC(=O)/C(=C/OC)/C1=CC=CC=C1OC2=NC=NC(=C2)OC3=CC=CC=C3C#N

InChI

InChI=1S/C22H17N3O4/c1-15(26)18(13-27-2)17-8-4-6-10-20(17)29-22-11-21(24-14-25-22)28-19-9-5-3-7-16(19)12-23/h3-11,13-14H,1-2H3/b18-13-