(E)-but-2-enedioic acid; 2-methylbenzamide

Systemtic Name: (E)-but-2-enedioic acid; 2-methylbenzamide Openeye Name: fumaric acid; 2-methylbenzamide CAS Name: (E)-2-butenedioic acid; 2-methylbenzamide IUPAC Name: (E)-but-2-enedioic acid; 2-methylbenzamide Traditional Name: fumaric acid; 2-methylbenzamide Formula: C12H13NO5 MolecularWeight: 251.23532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C(=O)N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C8H9NO.C4H4O4/c1-6-4-2-3-5-7(6)8(9)10;5-3(6)1-2-4(7)8/h2-5H,1H3,(H2,9,10);1-2H,(H,5,6)(H,7,8)/b;2-1+