(E)-but-2-enedioic acid; N-[2-[(E)-2-methoxyethenyl]pyrrol-1-yl]-N-methyl-pyridin-4-amine

Systemtic Name: (E)-but-2-enedioic acid; N-[2-[(E)-2-methoxyethenyl]pyrrol-1-yl]-N-methyl-pyridin-4-amine Openeye Name: fumaric acid; N-[2-[(E)-2-methoxyvinyl]pyrrol-1-yl]-N-methyl-pyridin-4-amine CAS Name: (E)-2-butenedioic acid; N-[2-[(E)-2-methoxyethenyl]-1-pyrrolyl]-N-methyl-4-pyridinamine IUPAC Name: (E)-but-2-enedioic acid; N-[2-[(E)-2-methoxyethenyl]pyrrol-1-yl]-N-methylpyridin-4-amine Traditional Name: fumaric acid; [2-[(E)-2-methoxyvinyl]pyrrol-1-yl]-methyl-(4-pyridyl)amine Formula: C17H19N3O5 MolecularWeight: 345.34986

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=NC=C1)N2C=CC=C2C=COC.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN(C1=CC=NC=C1)N2C=CC=C2/C=C/OC.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C13H15N3O.C4H4O4/c1-15(12-5-8-14-9-6-12)16-10-3-4-13(16)7-11-17-2;5-3(6)1-2-4(7)8/h3-11H,1-2H3;1-2H,(H,5,6)(H,7,8)/b11-7+;2-1+