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

Systemtic Name: buta-1,3-diene; butyl prop-2-enoate; prop-2-enenitrile Openeye Name: buta-1,3-diene; butyl prop-2-enoate; prop-2-enenitrile CAS Name: buta-1,3-diene; 2-propenenitrile; 2-propenoic acid butyl ester IUPAC Name: buta-1,3-diene; butyl prop-2-enoate; prop-2-enenitrile Traditional Name: acrylic acid butyl ester; acrylonitrile; buta-1,3-diene Formula: C14H21NO2 MolecularWeight: 235.32204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H12O2.C4H6.C3H3N/c1-3-5-6-9-7(8)4-2;1-3-4-2;1-2-3-4/h4H,2-3,5-6H2,1H3;3-4H,1-2H2;2H,1H2