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

Systemtic Name: 1,2-benzodiazepin-6-one; (E)-but-2-enedioic acid Openeye Name: 1,2-benzodiazepin-6-one; fumaric acid CAS Name: 1,2-benzodiazepin-6-one; (E)-2-butenedioic acid IUPAC Name: 1,2-benzodiazepin-6-one; (E)-but-2-enedioic acid Traditional Name: 1,2-benzodiazepin-6-one; fumaric acid Formula: C13H10N2O5 MolecularWeight: 274.2289

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)C2=CC=CN=NC2=C1.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=O)C2=CC=CN=NC2=C1.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C9H6N2O.C4H4O4/c12-9-5-1-4-8-7(9)3-2-6-10-11-8;5-3(6)1-2-4(7)8/h1-6H;1-2H,(H,5,6)(H,7,8)/b;2-1+