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

Systemtic Name: (E)-but-2-enedioic acid; 4-methoxy-2-[2-methoxy-3-(methylaminomethyl)phenoxy]benzenecarbonitrile Openeye Name: fumaric acid; 4-methoxy-2-[2-methoxy-3-(methylaminomethyl)phenoxy]benzonitrile CAS Name: (E)-2-butenedioic acid; 4-methoxy-2-[2-methoxy-3-(methylaminomethyl)phenoxy]benzonitrile IUPAC Name: (E)-but-2-enedioic acid; 4-methoxy-2-[2-methoxy-3-(methylaminomethyl)phenoxy]benzonitrile Traditional Name: fumaric acid; 4-methoxy-2-[2-methoxy-3-(methylaminomethyl)phenoxy]benzonitrile Formula: C21H22N2O7 MolecularWeight: 414.40858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O3.C4H4O4/c1-19-11-13-5-4-6-15(17(13)21-3)22-16-9-14(20-2)8-7-12(16)10-18;5-3(6)1-2-4(7)8/h4-9,19H,11H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+