(E)-but-2-enedioic acid; 4-methyl-2-[3-(methylaminomethyl)phenoxy]benzenecarbonitrile

Systemtic Name: (E)-but-2-enedioic acid; 4-methyl-2-[3-(methylaminomethyl)phenoxy]benzenecarbonitrile Openeye Name: fumaric acid; 4-methyl-2-[3-(methylaminomethyl)phenoxy]benzonitrile CAS Name: (E)-2-butenedioic acid; 4-methyl-2-[3-(methylaminomethyl)phenoxy]benzonitrile IUPAC Name: (E)-but-2-enedioic acid; 4-methyl-2-[3-(methylaminomethyl)phenoxy]benzonitrile Traditional Name: fumaric acid; 4-methyl-2-[3-(methylaminomethyl)phenoxy]benzonitrile Formula: C20H20N2O5 MolecularWeight: 368.3832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O.C4H4O4/c1-12-6-7-14(10-17)16(8-12)19-15-5-3-4-13(9-15)11-18-2;5-3(6)1-2-4(7)8/h3-9,18H,11H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+