(E)-but-2-enedioic acid; 2-phenyl-4,4a,5,6-tetrahydrobenzo[h]cinnolin-3-one

Systemtic Name: (E)-but-2-enedioic acid; 2-phenyl-4,4a,5,6-tetrahydrobenzo[h]cinnolin-3-one Openeye Name: fumaric acid; 2-phenyl-4,4a,5,6-tetrahydrobenzo[h]cinnolin-3-one CAS Name: (E)-2-butenedioic acid; 2-phenyl-4,4a,5,6-tetrahydrobenzo[h]cinnolin-3-one IUPAC Name: (E)-but-2-enedioic acid; 2-phenyl-4,4a,5,6-tetrahydrobenzo[h]cinnolin-3-one Traditional Name: fumaric acid; 2-phenyl-4,4a,5,6-tetrahydrobenzo[h]cinnolin-3-one Formula: C22H20N2O5 MolecularWeight: 392.4046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2C3=NN(C(=O)CC31)C4=CC=CC=C4.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CC2=CC=CC=C2C3=NN(C(=O)CC31)C4=CC=CC=C4.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C18H16N2O.C4H4O4/c21-17-12-14-11-10-13-6-4-5-9-16(13)18(14)19-20(17)15-7-2-1-3-8-15;5-3(6)1-2-4(7)8/h1-9,14H,10-12H2;1-2H,(H,5,6)(H,7,8)/b;2-1+