(E)-but-2-enedioic acid; 2H-1,2,4-triazin-3-one

Systemtic Name: (E)-but-2-enedioic acid; 2H-1,2,4-triazin-3-one Openeye Name: fumaric acid; 2H-1,2,4-triazin-3-one CAS Name: (E)-2-butenedioic acid; 2H-1,2,4-triazin-3-one IUPAC Name: (E)-but-2-enedioic acid; 2H-1,2,4-triazin-3-one Traditional Name: fumaric acid; 2H-1,2,4-triazin-3-one Formula: C7H7N3O5 MolecularWeight: 213.14758

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC(=O)NN=C1.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1=NC(=O)NN=C1.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C4H4O4.C3H3N3O/c5-3(6)1-2-4(7)8;7-3-4-1-2-5-6-3/h1-2H,(H,5,6)(H,7,8);1-2H,(H,4,6,7)/b2-1+;