(E)-but-2-enedioic acid; N-[(E)-4-(dimethylamino)but-1-enyl]propanamide

Systemtic Name: (E)-but-2-enedioic acid; N-[(E)-4-(dimethylamino)but-1-enyl]propanamide Openeye Name: N-[(E)-4-(dimethylamino)but-1-enyl]propanamide; fumaric acid CAS Name: (E)-2-butenedioic acid; N-[(E)-4-(dimethylamino)but-1-enyl]propanamide IUPAC Name: (E)-but-2-enedioic acid; N-[(E)-4-(dimethylamino)but-1-enyl]propanamide Traditional Name: N-[(E)-4-(dimethylamino)but-1-enyl]propionamide; fumaric acid Formula: C13H22N2O5 MolecularWeight: 286.32418

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC=CCCN(C)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCC(=O)N/C=C/CCN(C)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C9H18N2O.C4H4O4/c1-4-9(12)10-7-5-6-8-11(2)3;5-3(6)1-2-4(7)8/h5,7H,4,6,8H2,1-3H3,(H,10,12);1-2H,(H,5,6)(H,7,8)/b7-5+;2-1+