dimethyl (E)-but-2-enedioate; prop-2-enenitrile

Systemtic Name: dimethyl (E)-but-2-enedioate; prop-2-enenitrile Openeye Name: dimethyl (E)-but-2-enedioate; prop-2-enenitrile CAS Name: (E)-2-butenedioic acid dimethyl ester; 2-propenenitrile IUPAC Name: dimethyl (E)-but-2-enedioate; prop-2-enenitrile Traditional Name: acrylonitrile; (E)-but-2-enedioic acid dimethyl ester Formula: C9H11NO4 MolecularWeight: 197.18794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H8O4.C3H3N/c1-9-5(7)3-4-6(8)10-2;1-2-3-4/h3-4H,1-2H3;2H,1H2/b4-3+;