(E)-N-(2-hydroxyethyl)-3-(3-methylphenyl)prop-2-enamide hydrate

Systemtic Name: (E)-N-(2-hydroxyethyl)-3-(3-methylphenyl)prop-2-enamide hydrate Openeye Name: (E)-N-(2-hydroxyethyl)-3-(m-tolyl)prop-2-enamide hydrate CAS Name: (E)-N-(2-hydroxyethyl)-3-(3-methylphenyl)-2-propenamide hydrate IUPAC Name: (E)-N-(2-hydroxyethyl)-3-(3-methylphenyl)prop-2-enamide hydrate Traditional Name: (E)-N-(2-hydroxyethyl)-3-(m-tolyl)acrylamide hydrate Formula: C12H17NO3 MolecularWeight: 223.26828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C=CC(=O)NCCO.O

Isomeric SMILES

CC1=CC=CC(=C1)/C=C/C(=O)NCCO.O

InChI

InChI=1S/C12H15NO2.H2O/c1-10-3-2-4-11(9-10)5-6-12(15)13-7-8-14;/h2-6,9,14H,7-8H2,1H3,(H,13,15);1H2/b6-5+;