(E)-but-2-enedioic acid; 1-methyl-2-(5-methyl-1H-imidazol-4-yl)carbazol-4-one

Systemtic Name: (E)-but-2-enedioic acid; 1-methyl-2-(5-methyl-1H-imidazol-4-yl)carbazol-4-one Openeye Name: fumaric acid; 1-methyl-2-(5-methyl-1H-imidazol-4-yl)carbazol-4-one CAS Name: (E)-2-butenedioic acid; 1-methyl-2-(5-methyl-1H-imidazol-4-yl)-4-carbazolone IUPAC Name: (E)-but-2-enedioic acid; 1-methyl-2-(5-methyl-1H-imidazol-4-yl)carbazol-4-one Traditional Name: fumaric acid; 1-methyl-2-(5-methyl-1H-imidazol-4-yl)carbazol-4-one Formula: C21H17N3O5 MolecularWeight: 391.37678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C3C=CC=CC3=N2)C(=O)C=C1C4=C(NC=N4)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=C2C(=C3C=CC=CC3=N2)C(=O)C=C1C4=C(NC=N4)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C17H13N3O.C4H4O4/c1-9-12(17-10(2)18-8-19-17)7-14(21)15-11-5-3-4-6-13(11)20-16(9)15;5-3(6)1-2-4(7)8/h3-8H,1-2H3,(H,18,19);1-2H,(H,5,6)(H,7,8)/b;2-1+