buta-1,3-diene; methyl prop-2-enoate; prop-2-enenitrile

Systemtic Name: buta-1,3-diene; methyl prop-2-enoate; prop-2-enenitrile Openeye Name: buta-1,3-diene; methyl prop-2-enoate; prop-2-enenitrile CAS Name: buta-1,3-diene; 2-propenenitrile; 2-propenoic acid methyl ester IUPAC Name: buta-1,3-diene; methyl prop-2-enoate; prop-2-enenitrile Traditional Name: acrylic acid methyl ester; acrylonitrile; buta-1,3-diene Formula: C11H15NO2 MolecularWeight: 193.2423

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C4H6O2.C4H6.C3H3N/c1-3-4(5)6-2;1-3-4-2;1-2-3-4/h3H,1H2,2H3;3-4H,1-2H2;2H,1H2