(E)-but-2-enedioic acid; (3E)-9-methyl-3-[(5-methyl-1H-imidazol-4-yl)methylidene]-1,2-dihydrocarbazol-4-one

Systemtic Name: (E)-but-2-enedioic acid; (3E)-9-methyl-3-[(5-methyl-1H-imidazol-4-yl)methylidene]-1,2-dihydrocarbazol-4-one Openeye Name: fumaric acid; (3E)-9-methyl-3-[(5-methyl-1H-imidazol-4-yl)methylene]-1,2-dihydrocarbazol-4-one CAS Name: (E)-2-butenedioic acid; (3E)-9-methyl-3-[(5-methyl-1H-imidazol-4-yl)methylidene]-1,2-dihydrocarbazol-4-one IUPAC Name: (E)-but-2-enedioic acid; (3E)-9-methyl-3-[(5-methyl-1H-imidazol-4-yl)methylidene]-1,2-dihydrocarbazol-4-one Traditional Name: fumaric acid; (3E)-9-methyl-3-[(5-methyl-1H-imidazol-4-yl)methylene]-1,2-dihydrocarbazol-4-one Formula: C22H21N3O5 MolecularWeight: 407.41924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)C=C2CCC3=C(C2=O)C4=CC=CC=C4N3C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=C(N=CN1)/C=C/2\CCC3=C(C2=O)C4=CC=CC=C4N3C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C18H17N3O.C4H4O4/c1-11-14(20-10-19-11)9-12-7-8-16-17(18(12)22)13-5-3-4-6-15(13)21(16)2;5-3(6)1-2-4(7)8/h3-6,9-10H,7-8H2,1-2H3,(H,19,20);1-2H,(H,5,6)(H,7,8)/b12-9+;2-1+