(E)-but-2-enedioic acid; 2,3-dihydro-1H-indole

Systemtic Name: (E)-but-2-enedioic acid; 2,3-dihydro-1H-indole Openeye Name: fumaric acid; indoline CAS Name: (E)-2-butenedioic acid; 2,3-dihydro-1H-indole IUPAC Name: (E)-but-2-enedioic acid; 2,3-dihydro-1H-indole Traditional Name: fumaric acid; indoline Formula: C12H13NO4 MolecularWeight: 235.23592

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC2=CC=CC=C21.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CNC2=CC=CC=C21.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C8H9N.C4H4O4/c1-2-4-8-7(3-1)5-6-9-8;5-3(6)1-2-4(7)8/h1-4,9H,5-6H2;1-2H,(H,5,6)(H,7,8)/b;2-1+