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

Systemtic Name: 4,4a,5,6-tetrahydro-2H-benzo[h]cinnolin-3-one; (E)-but-2-enedioic acid Openeye Name: 4,4a,5,6-tetrahydro-2H-benzo[h]cinnolin-3-one; fumaric acid CAS Name: 4,4a,5,6-tetrahydro-2H-benzo[h]cinnolin-3-one; (E)-2-butenedioic acid IUPAC Name: 4,4a,5,6-tetrahydro-2H-benzo[h]cinnolin-3-one; (E)-but-2-enedioic acid Traditional Name: 4,4a,5,6-tetrahydro-2H-benzo[h]cinnolin-3-one; fumaric acid Formula: C16H16N2O5 MolecularWeight: 316.30864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2C3=NNC(=O)CC31.C(=CC(=O)O)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C12H12N2O.C4H4O4/c15-11-7-9-6-5-8-3-1-2-4-10(8)12(9)14-13-11;5-3(6)1-2-4(7)8/h1-4,9H,5-7H2,(H,13,15);1-2H,(H,5,6)(H,7,8)/b;2-1+