(E)-but-2-enedioic acid; 1-oxidanylidene-9bH-pyrido[4,3-b]indole-5-carboxamide

Systemtic Name: (E)-but-2-enedioic acid; 1-oxidanylidene-9bH-pyrido[4,3-b]indole-5-carboxamide Openeye Name: fumaric acid; 1-oxo-9bH-pyrido[4,3-b]indole-5-carboxamide CAS Name: (E)-2-butenedioic acid; 1-oxo-9bH-pyrido[4,3-b]indole-5-carboxamide IUPAC Name: (E)-but-2-enedioic acid; 1-oxo-9bH-pyrido[4,3-b]indole-5-carboxamide Traditional Name: fumaric acid; 1-keto-9bH-pyrid[4,3-b]indole-5-carboxamide Formula: C16H13N3O6 MolecularWeight: 343.29092

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3C(=CC=NC3=O)N2C(=O)N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C3C(=CC=NC3=O)N2C(=O)N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C12H9N3O2.C4H4O4/c13-12(17)15-8-4-2-1-3-7(8)10-9(15)5-6-14-11(10)16;5-3(6)1-2-4(7)8/h1-6,10H,(H2,13,17);1-2H,(H,5,6)(H,7,8)/b;2-1+