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

Systemtic Name: 2-[4-azanyl-1-(furan-3-yl)butoxy]-4-chloranyl-5-fluoranyl-benzenecarbonitrile; (E)-but-2-enedioic acid Openeye Name: 2-[4-amino-1-(3-furyl)butoxy]-4-chloro-5-fluoro-benzonitrile; fumaric acid CAS Name: 2-[4-amino-1-(3-furanyl)butoxy]-4-chloro-5-fluorobenzonitrile; (E)-2-butenedioic acid IUPAC Name: 2-[4-amino-1-(furan-3-yl)butoxy]-4-chloro-5-fluorobenzonitrile; (E)-but-2-enedioic acid Traditional Name: 2-[4-amino-1-(3-furyl)butoxy]-4-chloro-5-fluoro-benzonitrile; fumaric acid Formula: C19H18ClFN2O6 MolecularWeight: 424.807423

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14ClFN2O2.C4H4O4/c16-12-7-15(11(8-19)6-13(12)17)21-14(2-1-4-18)10-3-5-20-9-10;5-3(6)1-2-4(7)8/h3,5-7,9,14H,1-2,4,18H2;1-2H,(H,5,6)(H,7,8)/b;2-1+