(E)-but-2-enedioic acid; 2H-isoquinolin-1-one

Systemtic Name: (E)-but-2-enedioic acid; 2H-isoquinolin-1-one Openeye Name: fumaric acid; 2H-isoquinolin-1-one CAS Name: (E)-2-butenedioic acid; 2H-isoquinolin-1-one IUPAC Name: (E)-but-2-enedioic acid; 2H-isoquinolin-1-one Traditional Name: fumaric acid; isocarbostyril Formula: C13H11NO5 MolecularWeight: 261.23014

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CNC2=O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CNC2=O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C9H7NO.C4H4O4/c11-9-8-4-2-1-3-7(8)5-6-10-9;5-3(6)1-2-4(7)8/h1-6H,(H,10,11);1-2H,(H,5,6)(H,7,8)/b;2-1+