ethyl (3E)-2-methyl-3-(2-oxidanylidenepyridin-3-ylidene)-5-phenyl-1H-pyrazole-4-carboxylate

Systemtic Name: ethyl (3E)-2-methyl-3-(2-oxidanylidenepyridin-3-ylidene)-5-phenyl-1H-pyrazole-4-carboxylate Openeye Name: ethyl (3E)-2-methyl-3-(2-oxo-3-pyridylidene)-5-phenyl-1H-pyrazole-4-carboxylate CAS Name: (3E)-2-methyl-3-(2-oxo-3-pyridinylidene)-5-phenyl-1H-pyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl (3E)-2-methyl-3-(2-oxopyridin-3-ylidene)-5-phenyl-1H-pyrazole-4-carboxylate Traditional Name: (5E)-5-(2-keto-3-pyridylidene)-1-methyl-3-phenyl-3-pyrazoline-4-carboxylic acid ethyl ester Formula: C18H17N3O3 MolecularWeight: 323.34588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NN(C1=C2C=CC=NC2=O)C)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C\1=C(NN(/C1=C/2\C=CC=NC2=O)C)C3=CC=CC=C3

InChI

InChI=1S/C18H17N3O3/c1-3-24-18(23)14-15(12-8-5-4-6-9-12)20-21(2)16(14)13-10-7-11-19-17(13)22/h4-11,20H,3H2,1-2H3/b16-13+