4-[(4E)-3-cyano-4-[[5-(dimethylamino)furan-2-yl]methylidene]-5-oxidanylidene-pyrazol-1-yl]benzoic acid

Systemtic Name: 4-[(4E)-3-cyano-4-[[5-(dimethylamino)furan-2-yl]methylidene]-5-oxidanylidene-pyrazol-1-yl]benzoic acid Openeye Name: 4-[(4E)-3-cyano-4-[[5-(dimethylamino)-2-furyl]methylene]-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 4-[(4E)-3-cyano-4-[[5-(dimethylamino)-2-furanyl]methylidene]-5-oxo-1-pyrazolyl]benzoic acid IUPAC Name: 4-[(4E)-3-cyano-4-[[5-(dimethylamino)furan-2-yl]methylidene]-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 4-[(4E)-3-cyano-4-[[5-(dimethylamino)-2-furyl]methylene]-5-keto-2-pyrazolin-1-yl]benzoic acid Formula: C18H14N4O4 MolecularWeight: 350.32816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(O1)C=C2C(=NN(C2=O)C3=CC=C(C=C3)C(=O)O)C#N

Isomeric SMILES

CN(C)C1=CC=C(O1)/C=C/2\C(=NN(C2=O)C3=CC=C(C=C3)C(=O)O)C#N

InChI

InChI=1S/C18H14N4O4/c1-21(2)16-8-7-13(26-16)9-14-15(10-19)20-22(17(14)23)12-5-3-11(4-6-12)18(24)25/h3-9H,1-2H3,(H,24,25)/b14-9+