(E)-3-methoxyprop-2-enoate; 2-(4-phenoxypyrimidin-2-yl)oxybenzenecarbonitrile

Systemtic Name: (E)-3-methoxyprop-2-enoate; 2-(4-phenoxypyrimidin-2-yl)oxybenzenecarbonitrile Openeye Name: (E)-3-methoxyprop-2-enoate; 2-(4-phenoxypyrimidin-2-yl)oxybenzonitrile CAS Name: (E)-3-methoxy-2-propenoate; 2-[(4-phenoxy-2-pyrimidinyl)oxy]benzonitrile IUPAC Name: (E)-3-methoxyprop-2-enoate; 2-(4-phenoxypyrimidin-2-yl)oxybenzonitrile Traditional Name: (E)-3-methoxyacrylate; 2-(4-phenoxypyrimidin-2-yl)oxybenzonitrile Formula: C21H16N3O5- MolecularWeight: 390.36884

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Descriptors Computed from Structure

Canonical SMILES:

COC=CC(=O)[O-].C1=CC=C(C=C1)OC2=NC(=NC=C2)OC3=CC=CC=C3C#N

Isomeric SMILES

CO/C=C/C(=O)[O-].C1=CC=C(C=C1)OC2=NC(=NC=C2)OC3=CC=CC=C3C#N

InChI

InChI=1S/C17H11N3O2.C4H6O3/c18-12-13-6-4-5-9-15(13)22-17-19-11-10-16(20-17)21-14-7-2-1-3-8-14;1-7-3-2-4(5)6/h1-11H;2-3H,1H3,(H,5,6)/p-1/b;3-2+