ethyl (E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoate hydrate

Systemtic Name: ethyl (E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoate hydrate Openeye Name: ethyl (E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoate hydrate CAS Name: (E)-2-cyano-3-(4-ethoxyphenyl)-2-propenoic acid ethyl ester hydrate IUPAC Name: ethyl (E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoate hydrate Traditional Name: (E)-2-cyano-3-p-phenetyl-acrylic acid ethyl ester hydrate Formula: C14H17NO4 MolecularWeight: 263.28908

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C=C(C#N)C(=O)OCC.O

Isomeric SMILES

CCOC1=CC=C(C=C1)/C=C(\C#N)/C(=O)OCC.O

InChI

InChI=1S/C14H15NO3.H2O/c1-3-17-13-7-5-11(6-8-13)9-12(10-15)14(16)18-4-2;/h5-9H,3-4H2,1-2H3;1H2/b12-9+;