(E)-but-2-enedioic acid; 3-(1H-imidazol-5-ylmethyl)-9-methyl-2,3-dihydro-1H-carbazol-4-one

Systemtic Name: (E)-but-2-enedioic acid; 3-(1H-imidazol-5-ylmethyl)-9-methyl-2,3-dihydro-1H-carbazol-4-one Openeye Name: fumaric acid; 3-(1H-imidazol-5-ylmethyl)-9-methyl-2,3-dihydro-1H-carbazol-4-one CAS Name: (E)-2-butenedioic acid; 3-(1H-imidazol-5-ylmethyl)-9-methyl-2,3-dihydro-1H-carbazol-4-one IUPAC Name: (E)-but-2-enedioic acid; 3-(1H-imidazol-5-ylmethyl)-9-methyl-2,3-dihydro-1H-carbazol-4-one Traditional Name: fumaric acid; 3-(1H-imidazol-5-ylmethyl)-9-methyl-2,3-dihydro-1H-carbazol-4-one Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C3=CC=CC=C31)C(=O)C(CC2)CC4=CN=CN4.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1C2=C(C3=CC=CC=C31)C(=O)C(CC2)CC4=CN=CN4.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C17H17N3O.C4H4O4/c1-20-14-5-3-2-4-13(14)16-15(20)7-6-11(17(16)21)8-12-9-18-10-19-12;5-3(6)1-2-4(7)8/h2-5,9-11H,6-8H2,1H3,(H,18,19);1-2H,(H,5,6)(H,7,8)/b;2-1+