(E)-but-2-enedioic acid; 4-chloranyl-2-[4-(methylaminomethyl)naphthalen-1-yl]oxy-benzenecarbonitrile

Systemtic Name: (E)-but-2-enedioic acid; 4-chloranyl-2-[4-(methylaminomethyl)naphthalen-1-yl]oxy-benzenecarbonitrile Openeye Name: 4-chloro-2-[[4-(methylaminomethyl)-1-naphthyl]oxy]benzonitrile; fumaric acid CAS Name: (E)-2-butenedioic acid; 4-chloro-2-[[4-(methylaminomethyl)-1-naphthalenyl]oxy]benzonitrile IUPAC Name: (E)-but-2-enedioic acid; 4-chloro-2-[4-(methylaminomethyl)naphthalen-1-yl]oxybenzonitrile Traditional Name: 4-chloro-2-[4-(methylaminomethyl)-1-naphthoxy]benzonitrile; fumaric acid Formula: C23H19ClN2O5 MolecularWeight: 438.86036

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Descriptors Computed from Structure

Canonical SMILES:

CNCC1=CC=C(C2=CC=CC=C12)OC3=C(C=CC(=C3)Cl)C#N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CNCC1=CC=C(C2=CC=CC=C12)OC3=C(C=CC(=C3)Cl)C#N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C19H15ClN2O.C4H4O4/c1-22-12-14-7-9-18(17-5-3-2-4-16(14)17)23-19-10-15(20)8-6-13(19)11-21;5-3(6)1-2-4(7)8/h2-10,22H,12H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+