2-[3-azanyl-1-(furan-3-yl)propoxy]-4-chloranyl-5-fluoranyl-benzenecarbonitrile; (E)-but-2-enedioic acid

Systemtic Name: 2-[3-azanyl-1-(furan-3-yl)propoxy]-4-chloranyl-5-fluoranyl-benzenecarbonitrile; (E)-but-2-enedioic acid Openeye Name: 2-[3-amino-1-(3-furyl)propoxy]-4-chloro-5-fluoro-benzonitrile; fumaric acid CAS Name: 2-[3-amino-1-(3-furanyl)propoxy]-4-chloro-5-fluorobenzonitrile; (E)-2-butenedioic acid IUPAC Name: 2-[3-amino-1-(furan-3-yl)propoxy]-4-chloro-5-fluorobenzonitrile; (E)-but-2-enedioic acid Traditional Name: 2-[3-amino-1-(3-furyl)propoxy]-4-chloro-5-fluoro-benzonitrile; fumaric acid Formula: C18H16ClFN2O6 MolecularWeight: 410.780843

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC=C1C(CCN)OC2=CC(=C(C=C2C#N)F)Cl.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1=COC=C1C(CCN)OC2=CC(=C(C=C2C#N)F)Cl.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C14H12ClFN2O2.C4H4O4/c15-11-6-14(10(7-18)5-12(11)16)20-13(1-3-17)9-2-4-19-8-9;5-3(6)1-2-4(7)8/h2,4-6,8,13H,1,3,17H2;1-2H,(H,5,6)(H,7,8)/b;2-1+