(E)-but-2-enedioic acid; methyl 3-[(2-methylimidazol-1-yl)methyl]-4-oxidanylidene-2,3-dihydro-1H-carbazole-9-carboxylate

Systemtic Name: (E)-but-2-enedioic acid; methyl 3-[(2-methylimidazol-1-yl)methyl]-4-oxidanylidene-2,3-dihydro-1H-carbazole-9-carboxylate Openeye Name: fumaric acid; methyl 3-[(2-methylimidazol-1-yl)methyl]-4-oxo-2,3-dihydro-1H-carbazole-9-carboxylate CAS Name: (E)-2-butenedioic acid; 3-[(2-methyl-1-imidazolyl)methyl]-4-oxo-2,3-dihydro-1H-carbazole-9-carboxylic acid methyl ester IUPAC Name: (E)-but-2-enedioic acid; methyl 3-[(2-methylimidazol-1-yl)methyl]-4-oxo-2,3-dihydro-1H-carbazole-9-carboxylate Traditional Name: fumaric acid; 4-keto-3-[(2-methylimidazol-1-yl)methyl]-2,3-dihydro-1H-carbazole-9-carboxylic acid methyl ester Formula: C23H23N3O7 MolecularWeight: 453.44462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CN1CC2CCC3=C(C2=O)C4=CC=CC=C4N3C(=O)OC.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=NC=CN1CC2CCC3=C(C2=O)C4=CC=CC=C4N3C(=O)OC.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C19H19N3O3.C4H4O4/c1-12-20-9-10-21(12)11-13-7-8-16-17(18(13)23)14-5-3-4-6-15(14)22(16)19(24)25-2;5-3(6)1-2-4(7)8/h3-6,9-10,13H,7-8,11H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+