(E)-but-2-enedioic acid; 1H-indole-6-carbonitrile

Systemtic Name: (E)-but-2-enedioic acid; 1H-indole-6-carbonitrile Openeye Name: fumaric acid; 1H-indole-6-carbonitrile CAS Name: (E)-2-butenedioic acid; 1H-indole-6-carbonitrile IUPAC Name: (E)-but-2-enedioic acid; 1H-indole-6-carbonitrile Traditional Name: fumaric acid; 1H-indole-6-carbonitrile Formula: C13H10N2O4 MolecularWeight: 258.2295

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC2=C1C=CN2)C#N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC2=C1C=CN2)C#N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C9H6N2.C4H4O4/c10-6-7-1-2-8-3-4-11-9(8)5-7;5-3(6)1-2-4(7)8/h1-5,11H;1-2H,(H,5,6)(H,7,8)/b;2-1+