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

Systemtic Name: 4,4a,5,6-tetrahydro-2H-benzo[h]cinnolin-3-one; (E)-but-2-enedioic acid; hydrate Openeye Name: 4,4a,5,6-tetrahydro-2H-benzo[h]cinnolin-3-one; fumaric acid; hydrate CAS Name: 4,4a,5,6-tetrahydro-2H-benzo[h]cinnolin-3-one; (E)-2-butenedioic acid; hydrate IUPAC Name: 4,4a,5,6-tetrahydro-2H-benzo[h]cinnolin-3-one; (E)-but-2-enedioic acid; hydrate Traditional Name: 4,4a,5,6-tetrahydro-2H-benzo[h]cinnolin-3-one; fumaric acid; hydrate Formula: C16H18N2O6 MolecularWeight: 334.32392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N2O.C4H4O4.H2O/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);1H2/b;2-1+;