ethyl prop-2-enoate; prop-2-enenitrile; prop-2-enoic acid

Systemtic Name: ethyl prop-2-enoate; prop-2-enenitrile; prop-2-enoic acid Openeye Name: acrylic acid; ethyl prop-2-enoate; prop-2-enenitrile CAS Name: 2-propenenitrile; 2-propenoic acid; 2-propenoic acid ethyl ester IUPAC Name: ethyl prop-2-enoate; prop-2-enenitrile; prop-2-enoic acid Traditional Name: acrylic acid; acrylic acid ethyl ester; acrylonitrile Formula: C11H15NO4 MolecularWeight: 225.2411

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C5H8O2.C3H3N.C3H4O2/c1-3-5(6)7-4-2;1-2-3-4;1-2-3(4)5/h3H,1,4H2,2H3;2H,1H2;2H,1H2,(H,4,5)