(E)-but-2-enedioic acid; 2-ethenyl-5-azabicyclo[4.2.0]octa-1,3,5-triene

Systemtic Name: (E)-but-2-enedioic acid; 2-ethenyl-5-azabicyclo[4.2.0]octa-1,3,5-triene Openeye Name: fumaric acid; 2-vinyl-5-azabicyclo[4.2.0]octa-1,3,5-triene CAS Name: (E)-2-butenedioic acid; 2-ethenyl-5-azabicyclo[4.2.0]octa-1,3,5-triene IUPAC Name: (E)-but-2-enedioic acid; 2-ethenyl-5-azabicyclo[4.2.0]octa-1,3,5-triene Traditional Name: fumaric acid; 2-vinyl-5-azabicyclo[4.2.0]octa-1,3,5-triene Formula: C13H13NO4 MolecularWeight: 247.24662

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Descriptors Computed from Structure

Canonical SMILES:

C=CC1=C2CCC2=NC=C1.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C=CC1=C2CCC2=NC=C1.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C9H9N.C4H4O4/c1-2-7-5-6-10-9-4-3-8(7)9;5-3(6)1-2-4(7)8/h2,5-6H,1,3-4H2;1-2H,(H,5,6)(H,7,8)/b;2-1+