(E)-but-2-enedioic acid; 6,9-dimethyl-3-[(5-methyl-1H-imidazol-4-yl)methyl]-2,3-dihydro-1H-carbazol-4-one

Systemtic Name: (E)-but-2-enedioic acid; 6,9-dimethyl-3-[(5-methyl-1H-imidazol-4-yl)methyl]-2,3-dihydro-1H-carbazol-4-one Openeye Name: 6,9-dimethyl-3-[(5-methyl-1H-imidazol-4-yl)methyl]-2,3-dihydro-1H-carbazol-4-one; fumaric acid CAS Name: (E)-2-butenedioic acid; 6,9-dimethyl-3-[(5-methyl-1H-imidazol-4-yl)methyl]-2,3-dihydro-1H-carbazol-4-one IUPAC Name: (E)-but-2-enedioic acid; 6,9-dimethyl-3-[(5-methyl-1H-imidazol-4-yl)methyl]-2,3-dihydro-1H-carbazol-4-one Traditional Name: 6,9-dimethyl-3-[(5-methyl-1H-imidazol-4-yl)methyl]-2,3-dihydro-1H-carbazol-4-one; fumaric acid Formula: C23H25N3O5 MolecularWeight: 423.4617

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C3=C2C(=O)C(CC3)CC4=C(NC=N4)C)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)N(C3=C2C(=O)C(CC3)CC4=C(NC=N4)C)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C19H21N3O.C4H4O4/c1-11-4-6-16-14(8-11)18-17(22(16)3)7-5-13(19(18)23)9-15-12(2)20-10-21-15;5-3(6)1-2-4(7)8/h4,6,8,10,13H,5,7,9H2,1-3H3,(H,20,21);1-2H,(H,5,6)(H,7,8)/b;2-1+