(Z)-2-(dimethoxymethyl)-3-pyridin-3-yl-prop-2-enenitrile hydrate

Systemtic Name: (Z)-2-(dimethoxymethyl)-3-pyridin-3-yl-prop-2-enenitrile hydrate Openeye Name: (Z)-2-(dimethoxymethyl)-3-(3-pyridyl)prop-2-enenitrile hydrate CAS Name: (Z)-2-(dimethoxymethyl)-3-(3-pyridinyl)-2-propenenitrile hydrate IUPAC Name: (Z)-2-(dimethoxymethyl)-3-pyridin-3-ylprop-2-enenitrile hydrate Traditional Name: (Z)-2-(dimethoxymethyl)-3-(3-pyridyl)acrylonitrile hydrate Formula: C11H14N2O3 MolecularWeight: 222.24046

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Descriptors Computed from Structure

Canonical SMILES:

COC(C(=CC1=CN=CC=C1)C#N)OC.O

Isomeric SMILES

COC(/C(=C\C1=CN=CC=C1)/C#N)OC.O

InChI

InChI=1S/C11H12N2O2.H2O/c1-14-11(15-2)10(7-12)6-9-4-3-5-13-8-9;/h3-6,8,11H,1-2H3;1H2/b10-6-;