buta-1,3-diene; (E)-2-methylbut-2-enoic acid; prop-2-enenitrile

Systemtic Name: buta-1,3-diene; (E)-2-methylbut-2-enoic acid; prop-2-enenitrile Openeye Name: buta-1,3-diene; (E)-2-methylbut-2-enoic acid; prop-2-enenitrile CAS Name: buta-1,3-diene; (E)-2-methyl-2-butenoic acid; 2-propenenitrile IUPAC Name: buta-1,3-diene; (E)-2-methylbut-2-enoic acid; prop-2-enenitrile Traditional Name: acrylonitrile; buta-1,3-diene; (E)-2-methylbut-2-enoic acid Formula: C12H17NO2 MolecularWeight: 207.26888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C/C=C(\C)/C(=O)O.C=CC=C.C=CC#N

InChI

InChI=1S/C5H8O2.C4H6.C3H3N/c1-3-4(2)5(6)7;1-3-4-2;1-2-3-4/h3H,1-2H3,(H,6,7);3-4H,1-2H2;2H,1H2/b4-3+;;