(E)-but-2-enedioic acid; N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-pyrrol-1-yl-aniline

Systemtic Name: (E)-but-2-enedioic acid; N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-pyrrol-1-yl-aniline Openeye Name: N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-pyrrol-1-yl-aniline; fumaric acid CAS Name: (E)-2-butenedioic acid; N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(1-pyrrolyl)aniline IUPAC Name: (E)-but-2-enedioic acid; N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-pyrrol-1-ylaniline Traditional Name: fumaric acid; 2-imidazolin-2-ylmethyl-(2-pyrrol-1-ylphenyl)amine Formula: C18H20N4O4 MolecularWeight: 356.3758

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Descriptors Computed from Structure

Canonical SMILES:

C1CN=C(N1)CNC2=CC=CC=C2N3C=CC=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CN=C(N1)CNC2=CC=CC=C2N3C=CC=C3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C14H16N4.C4H4O4/c1-2-6-13(18-9-3-4-10-18)12(5-1)17-11-14-15-7-8-16-14;5-3(6)1-2-4(7)8/h1-6,9-10,17H,7-8,11H2,(H,15,16);1-2H,(H,5,6)(H,7,8)/b;2-1+