(E)-but-2-enedioic acid; 3-[3-(imidazol-1-ylmethyl)indol-1-yl]propanenitrile

Systemtic Name: (E)-but-2-enedioic acid; 3-[3-(imidazol-1-ylmethyl)indol-1-yl]propanenitrile Openeye Name: fumaric acid; 3-[3-(imidazol-1-ylmethyl)indol-1-yl]propanenitrile CAS Name: (E)-2-butenedioic acid; 3-[3-(1-imidazolylmethyl)-1-indolyl]propanenitrile IUPAC Name: (E)-but-2-enedioic acid; 3-[3-(imidazol-1-ylmethyl)indol-1-yl]propanenitrile Traditional Name: fumaric acid; 3-[3-(imidazol-1-ylmethyl)indol-1-yl]propionitrile Formula: C19H18N4O4 MolecularWeight: 366.37062

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2CCC#N)CN3C=CN=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2CCC#N)CN3C=CN=C3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C15H14N4.C4H4O4/c16-6-3-8-19-11-13(10-18-9-7-17-12-18)14-4-1-2-5-15(14)19;5-3(6)1-2-4(7)8/h1-2,4-5,7,9,11-12H,3,8,10H2;1-2H,(H,5,6)(H,7,8)/b;2-1+