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

Systemtic Name: 2-[3-azanyl-1-(1,2-oxazol-3-yl)propoxy]-5-fluoranyl-4-methyl-benzenecarbonitrile; (E)-but-2-enedioic acid Openeye Name: 2-(3-amino-1-isoxazol-3-yl-propoxy)-5-fluoro-4-methyl-benzonitrile; fumaric acid CAS Name: 2-[3-amino-1-(3-isoxazolyl)propoxy]-5-fluoro-4-methylbenzonitrile; (E)-2-butenedioic acid IUPAC Name: 2-[3-amino-1-(1,2-oxazol-3-yl)propoxy]-5-fluoro-4-methylbenzonitrile; (E)-but-2-enedioic acid Traditional Name: 2-(3-amino-1-isoxazol-3-yl-propoxy)-5-fluoro-4-methyl-benzonitrile; fumaric acid Formula: C18H18FN3O6 MolecularWeight: 391.350423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)OC(CCN)C2=NOC=C2)C#N)F.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=C(C=C(C(=C1)OC(CCN)C2=NOC=C2)C#N)F.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C14H14FN3O2.C4H4O4/c1-9-6-14(10(8-17)7-11(9)15)20-13(2-4-16)12-3-5-19-18-12;5-3(6)1-2-4(7)8/h3,5-7,13H,2,4,16H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+