(E)-but-2-enedioic acid; 1H-imidazo[1,5-a][1,4]benzodiazepine

Systemtic Name: (E)-but-2-enedioic acid; 1H-imidazo[1,5-a][1,4]benzodiazepine Openeye Name: fumaric acid; 1H-imidazo[1,5-a][1,4]benzodiazepine CAS Name: (E)-2-butenedioic acid; 1H-imidazo[1,5-a][1,4]benzodiazepine IUPAC Name: (E)-but-2-enedioic acid; 1H-imidazo[1,5-a][1,4]benzodiazepine Traditional Name: fumaric acid; 1H-imidazo[1,5-a][1,4]benzodiazepine Formula: C15H13N3O4 MolecularWeight: 299.28142

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Descriptors Computed from Structure

Canonical SMILES:

C1N=CC2=CN=CC3=CC=CC=C3N21.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1N=CC2=CN=CC3=CC=CC=C3N21.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C11H9N3.C4H4O4/c1-2-4-11-9(3-1)5-12-6-10-7-13-8-14(10)11;5-3(6)1-2-4(7)8/h1-7H,8H2;1-2H,(H,5,6)(H,7,8)/b;2-1+