buta-1,3-diene; (E)-but-2-enedioic acid; prop-2-enenitrile

Systemtic Name: buta-1,3-diene; (E)-but-2-enedioic acid; prop-2-enenitrile Openeye Name: buta-1,3-diene; fumaric acid; prop-2-enenitrile CAS Name: buta-1,3-diene; (E)-2-butenedioic acid; 2-propenenitrile IUPAC Name: buta-1,3-diene; (E)-but-2-enedioic acid; prop-2-enenitrile Traditional Name: acrylonitrile; buta-1,3-diene; fumaric acid Formula: C11H13NO4 MolecularWeight: 223.22522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C4H4O4.C4H6.C3H3N/c5-3(6)1-2-4(7)8;1-3-4-2;1-2-3-4/h1-2H,(H,5,6)(H,7,8);3-4H,1-2H2;2H,1H2/b2-1+;;