(E)-but-2-enedioic acid; 6-methyl-2-[3-(methylaminomethyl)phenoxy]pyridine-3-carbonitrile

Systemtic Name: (E)-but-2-enedioic acid; 6-methyl-2-[3-(methylaminomethyl)phenoxy]pyridine-3-carbonitrile Openeye Name: fumaric acid; 6-methyl-2-[3-(methylaminomethyl)phenoxy]pyridine-3-carbonitrile CAS Name: (E)-2-butenedioic acid; 6-methyl-2-[3-(methylaminomethyl)phenoxy]-3-pyridinecarbonitrile IUPAC Name: (E)-but-2-enedioic acid; 6-methyl-2-[3-(methylaminomethyl)phenoxy]pyridine-3-carbonitrile Traditional Name: fumaric acid; 6-methyl-2-[3-(methylaminomethyl)phenoxy]nicotinonitrile Formula: C19H19N3O5 MolecularWeight: 369.37126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C#N)OC2=CC=CC(=C2)CNC.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=NC(=C(C=C1)C#N)OC2=CC=CC(=C2)CNC.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C15H15N3O.C4H4O4/c1-11-6-7-13(9-16)15(18-11)19-14-5-3-4-12(8-14)10-17-2;5-3(6)1-2-4(7)8/h3-8,17H,10H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+