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

Systemtic Name: buta-1,3-diene; 1-hydroxyethyl prop-2-enoate; prop-2-enenitrile Openeye Name: buta-1,3-diene; 1-hydroxyethyl prop-2-enoate; prop-2-enenitrile CAS Name: buta-1,3-diene; 2-propenenitrile; 2-propenoic acid 1-hydroxyethyl ester IUPAC Name: buta-1,3-diene; 1-hydroxyethyl prop-2-enoate; prop-2-enenitrile Traditional Name: acrylic acid 1-hydroxyethyl ester; acrylonitrile; buta-1,3-diene Formula: C12H17NO3 MolecularWeight: 223.26828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C5H8O3.C4H6.C3H3N/c1-3-5(7)8-4(2)6;1-3-4-2;1-2-3-4/h3-4,6H,1H2,2H3;3-4H,1-2H2;2H,1H2