[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] (E)-2-cyano-3-(4-methylphenyl)prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] (E)-2-cyano-3-(4-methylphenyl)prop-2-enoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] (E)-2-cyano-3-(p-tolyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-methylphenyl)-2-propenoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] (E)-2-cyano-3-(4-methylphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(p-tolyl)acrylic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C16H14N2O3 MolecularWeight: 282.29396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=C(C#N)C(=O)OCC(=O)NCC#C

Isomeric SMILES

CC1=CC=C(C=C1)/C=C(\C#N)/C(=O)OCC(=O)NCC#C

InChI

InChI=1S/C16H14N2O3/c1-3-8-18-15(19)11-21-16(20)14(10-17)9-13-6-4-12(2)5-7-13/h1,4-7,9H,8,11H2,2H3,(H,18,19)/b14-9+