(E)-but-2-enedioic acid; methyl prop-2-enoate; prop-2-enenitrile

Systemtic Name: (E)-but-2-enedioic acid; methyl prop-2-enoate; prop-2-enenitrile Openeye Name: fumaric acid; methyl prop-2-enoate; prop-2-enenitrile CAS Name: (E)-2-butenedioic acid; 2-propenenitrile; 2-propenoic acid methyl ester IUPAC Name: (E)-but-2-enedioic acid; methyl prop-2-enoate; prop-2-enenitrile Traditional Name: acrylic acid methyl ester; acrylonitrile; fumaric acid Formula: C11H13NO6 MolecularWeight: 255.22402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C4H4O4.C4H6O2.C3H3N/c5-3(6)1-2-4(7)8;1-3-4(5)6-2;1-2-3-4/h1-2H,(H,5,6)(H,7,8);3H,1H2,2H3;2H,1H2/b2-1+;;