(E)-but-2-enedioic acid; 2-[4-(4-methylimidazol-1-yl)butyl]isoindole-1,3-dione

Systemtic Name: (E)-but-2-enedioic acid; 2-[4-(4-methylimidazol-1-yl)butyl]isoindole-1,3-dione Openeye Name: fumaric acid; 2-[4-(4-methylimidazol-1-yl)butyl]isoindoline-1,3-dione CAS Name: (E)-2-butenedioic acid; 2-[4-(4-methyl-1-imidazolyl)butyl]isoindole-1,3-dione IUPAC Name: (E)-but-2-enedioic acid; 2-[4-(4-methylimidazol-1-yl)butyl]isoindole-1,3-dione Traditional Name: fumaric acid; 2-[4-(4-methylimidazol-1-yl)butyl]isoindoline-1,3-quinone Formula: C20H21N3O6 MolecularWeight: 399.39724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C=N1)CCCCN2C(=O)C3=CC=CC=C3C2=O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=CN(C=N1)CCCCN2C(=O)C3=CC=CC=C3C2=O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C16H17N3O2.C4H4O4/c1-12-10-18(11-17-12)8-4-5-9-19-15(20)13-6-2-3-7-14(13)16(19)21;5-3(6)1-2-4(7)8/h2-3,6-7,10-11H,4-5,8-9H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+