(E)-but-2-enedioic acid; 1,7-dihydroindol-6-one

Systemtic Name: (E)-but-2-enedioic acid; 1,7-dihydroindol-6-one Openeye Name: 1,7-dihydroindol-6-one; fumaric acid CAS Name: (E)-2-butenedioic acid; 1,7-dihydroindol-6-one IUPAC Name: (E)-but-2-enedioic acid; 1,7-dihydroindol-6-one Traditional Name: 1,7-dihydroindol-6-one; fumaric acid Formula: C12H11NO5 MolecularWeight: 249.21944

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)C=CC2=C1NC=C2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1C(=O)C=CC2=C1NC=C2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C8H7NO.C4H4O4/c10-7-2-1-6-3-4-9-8(6)5-7;5-3(6)1-2-4(7)8/h1-4,9H,5H2;1-2H,(H,5,6)(H,7,8)/b;2-1+