N-bromanylaniline; (E)-but-2-enedioic acid

Systemtic Name: N-bromanylaniline; (E)-but-2-enedioic acid Openeye Name: N-bromoaniline; fumaric acid CAS Name: N-bromoaniline; (E)-2-butenedioic acid IUPAC Name: N-bromoaniline; (E)-but-2-enedioic acid Traditional Name: bromo(phenyl)amine; fumaric acid Formula: C10H10BrNO4 MolecularWeight: 288.0947

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NBr.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)NBr.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C6H6BrN.C4H4O4/c7-8-6-4-2-1-3-5-6;5-3(6)1-2-4(7)8/h1-5,8H;1-2H,(H,5,6)(H,7,8)/b;2-1+