(E)-but-2-enedioic acid; (NZ)-N-(1-methylpyridin-2-ylidene)-N'-phenyl-pyrrolidine-1-carboximidamide

Systemtic Name: (E)-but-2-enedioic acid; (NZ)-N-(1-methylpyridin-2-ylidene)-N'-phenyl-pyrrolidine-1-carboximidamide Openeye Name: fumaric acid; (NZ)-N-(1-methyl-2-pyridylidene)-N'-phenyl-pyrrolidine-1-carboxamidine CAS Name: (E)-2-butenedioic acid; (NZ)-N-(1-methyl-2-pyridinylidene)-N'-phenyl-1-pyrrolidinecarboximidamide IUPAC Name: (E)-but-2-enedioic acid; (NZ)-N-(1-methylpyridin-2-ylidene)-N'-phenylpyrrolidine-1-carboximidamide Traditional Name: fumaric acid; (NZ)-N-(1-methyl-2-pyridylidene)-N'-phenyl-pyrrolidine-1-carboxamidine Formula: C21H24N4O4 MolecularWeight: 396.43966

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=CC1=NC(=NC2=CC=CC=C2)N3CCCC3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN\1C=CC=C/C1=N/C(=NC2=CC=CC=C2)N3CCCC3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C17H20N4.C4H4O4/c1-20-12-6-5-11-16(20)19-17(21-13-7-8-14-21)18-15-9-3-2-4-10-15;5-3(6)1-2-4(7)8/h2-6,9-12H,7-8,13-14H2,1H3;1-2H,(H,5,6)(H,7,8)/b18-17?,19-16-;2-1+