(E)-but-2-enedioic acid; 1,2,3,4-tetrahydro-1,2,4-triazine

Systemtic Name: (E)-but-2-enedioic acid; 1,2,3,4-tetrahydro-1,2,4-triazine Openeye Name: fumaric acid; 1,2,3,4-tetrahydro-1,2,4-triazine CAS Name: (E)-2-butenedioic acid; 1,2,3,4-tetrahydro-1,2,4-triazine IUPAC Name: (E)-but-2-enedioic acid; 1,2,3,4-tetrahydro-1,2,4-triazine Traditional Name: fumaric acid; 1,2,3,4-tetrahydro-1,2,4-triazine Formula: C7H11N3O4 MolecularWeight: 201.17994

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Descriptors Computed from Structure

Canonical SMILES:

C1NC=CNN1.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1NC=CNN1.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C4H4O4.C3H7N3/c5-3(6)1-2-4(7)8;1-2-5-6-3-4-1/h1-2H,(H,5,6)(H,7,8);1-2,4-6H,3H2/b2-1+;