1-isocyanatoethyl 2-methylprop-2-enoate; prop-2-enenitrile

Systemtic Name: 1-isocyanatoethyl 2-methylprop-2-enoate; prop-2-enenitrile Openeye Name: 1-isocyanatoethyl 2-methylprop-2-enoate; prop-2-enenitrile CAS Name: 2-methyl-2-propenoic acid 1-isocyanatoethyl ester; 2-propenenitrile IUPAC Name: 1-isocyanatoethyl 2-methylprop-2-enoate; prop-2-enenitrile Traditional Name: acrylonitrile; 2-methylacrylic acid 1-isocyanatoethyl ester Formula: C10H12N2O3 MolecularWeight: 208.21388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H9NO3.C3H3N/c1-5(2)7(10)11-6(3)8-4-9;1-2-3-4/h6H,1H2,2-3H3;2H,1H2