(E)-but-2-enedioic acid; quinazoline

Systemtic Name: (E)-but-2-enedioic acid; quinazoline Openeye Name: fumaric acid; quinazoline CAS Name: (E)-2-butenedioic acid; quinazoline IUPAC Name: (E)-but-2-enedioic acid; quinazoline Traditional Name: fumaric acid; quinazoline Formula: C12H10N2O4 MolecularWeight: 246.2188

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=NC=N2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=NC=N2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C8H6N2.C4H4O4/c1-2-4-8-7(3-1)5-9-6-10-8;5-3(6)1-2-4(7)8/h1-6H;1-2H,(H,5,6)(H,7,8)/b;2-1+