(E)-but-2-enedioic acid; 1-oxidanylidenepyrido[4,3-b]indole-6-carbonitrile

Systemtic Name: (E)-but-2-enedioic acid; 1-oxidanylidenepyrido[4,3-b]indole-6-carbonitrile Openeye Name: fumaric acid; 1-oxopyrido[4,3-b]indole-6-carbonitrile CAS Name: (E)-2-butenedioic acid; 1-oxo-6-pyrido[4,3-b]indolecarbonitrile IUPAC Name: (E)-but-2-enedioic acid; 1-oxopyrido[4,3-b]indole-6-carbonitrile Traditional Name: fumaric acid; 1-ketopyrid[4,3-b]indole-6-carbonitrile Formula: C16H9N3O5 MolecularWeight: 323.25976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=CC=NC3=O)N=C2C(=C1)C#N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC2=C3C(=CC=NC3=O)N=C2C(=C1)C#N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C12H5N3O.C4H4O4/c13-6-7-2-1-3-8-10-9(15-11(7)8)4-5-14-12(10)16;5-3(6)1-2-4(7)8/h1-5H;1-2H,(H,5,6)(H,7,8)/b;2-1+