buta-1,3-diene; N-(hydroxymethyl)-2-methyl-prop-2-enamide; prop-2-enenitrile

Systemtic Name: buta-1,3-diene; N-(hydroxymethyl)-2-methyl-prop-2-enamide; prop-2-enenitrile Openeye Name: buta-1,3-diene; N-(hydroxymethyl)-2-methyl-prop-2-enamide; prop-2-enenitrile CAS Name: buta-1,3-diene; N-(hydroxymethyl)-2-methyl-2-propenamide; 2-propenenitrile IUPAC Name: buta-1,3-diene; N-(hydroxymethyl)-2-methylprop-2-enamide; prop-2-enenitrile Traditional Name: acrylonitrile; buta-1,3-diene; 2-methyl-N-methylol-acrylamide Formula: C12H18N2O2 MolecularWeight: 222.28352

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(=O)NCO.C=CC=C.C=CC#N

Isomeric SMILES

CC(=C)C(=O)NCO.C=CC=C.C=CC#N

InChI

InChI=1S/C5H9NO2.C4H6.C3H3N/c1-4(2)5(8)6-3-7;1-3-4-2;1-2-3-4/h7H,1,3H2,2H3,(H,6,8);3-4H,1-2H2;2H,1H2