(E)-but-2-enedioic acid; 3-methylbut-2-en-1-amine

Systemtic Name: (E)-but-2-enedioic acid; 3-methylbut-2-en-1-amine Openeye Name: fumaric acid; 3-methylbut-2-en-1-amine CAS Name: (E)-2-butenedioic acid; 3-methyl-2-buten-1-amine IUPAC Name: (E)-but-2-enedioic acid; 3-methylbut-2-en-1-amine Traditional Name: fumaric acid; 3-methylbut-2-enylamine Formula: C9H15NO4 MolecularWeight: 201.2197

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(=CCN)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C5H11N.C4H4O4/c1-5(2)3-4-6;5-3(6)1-2-4(7)8/h3H,4,6H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+