(E)-3-(4-chlorophenyl)-2-(4-methylphenyl)prop-2-enenitrile hydrate

Systemtic Name: (E)-3-(4-chlorophenyl)-2-(4-methylphenyl)prop-2-enenitrile hydrate Openeye Name: (E)-3-(4-chlorophenyl)-2-(p-tolyl)prop-2-enenitrile hydrate CAS Name: (E)-3-(4-chlorophenyl)-2-(4-methylphenyl)-2-propenenitrile hydrate IUPAC Name: (E)-3-(4-chlorophenyl)-2-(4-methylphenyl)prop-2-enenitrile hydrate Traditional Name: (E)-3-(4-chlorophenyl)-2-(p-tolyl)acrylonitrile hydrate Formula: C16H14ClNO MolecularWeight: 271.74146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=CC2=CC=C(C=C2)Cl)C#N.O

Isomeric SMILES

CC1=CC=C(C=C1)/C(=C\C2=CC=C(C=C2)Cl)/C#N.O

InChI

InChI=1S/C16H12ClN.H2O/c1-12-2-6-14(7-3-12)15(11-18)10-13-4-8-16(17)9-5-13;/h2-10H,1H3;1H2/b15-10-;