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

Systemtic Name: (E)-but-2-enedioic acid; 4-chloranyl-2-[3-(methylaminomethyl)phenoxy]benzenecarbonitrile Openeye Name: 4-chloro-2-[3-(methylaminomethyl)phenoxy]benzonitrile; fumaric acid CAS Name: (E)-2-butenedioic acid; 4-chloro-2-[3-(methylaminomethyl)phenoxy]benzonitrile IUPAC Name: (E)-but-2-enedioic acid; 4-chloro-2-[3-(methylaminomethyl)phenoxy]benzonitrile Traditional Name: 4-chloro-2-[3-(methylaminomethyl)phenoxy]benzonitrile; fumaric acid Formula: C19H17ClN2O5 MolecularWeight: 388.80168

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Descriptors Computed from Structure

Canonical SMILES:

CNCC1=CC(=CC=C1)OC2=C(C=CC(=C2)Cl)C#N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CNCC1=CC(=CC=C1)OC2=C(C=CC(=C2)Cl)C#N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C15H13ClN2O.C4H4O4/c1-18-10-11-3-2-4-14(7-11)19-15-8-13(16)6-5-12(15)9-17;5-3(6)1-2-4(7)8/h2-8,18H,10H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+