ethyl 3-methyl-1-(4-methylphenyl)-5-(2-nitrophenyl)pyrazole-4-carboxylate

Systemtic Name: ethyl 3-methyl-1-(4-methylphenyl)-5-(2-nitrophenyl)pyrazole-4-carboxylate Openeye Name: ethyl 3-methyl-5-(2-nitrophenyl)-1-(p-tolyl)pyrazole-4-carboxylate CAS Name: 3-methyl-1-(4-methylphenyl)-5-(2-nitrophenyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-1-(4-methylphenyl)-5-(2-nitrophenyl)pyrazole-4-carboxylate Traditional Name: 3-methyl-5-(2-nitrophenyl)-1-(p-tolyl)pyrazole-4-carboxylic acid ethyl ester Formula: C20H19N3O4 MolecularWeight: 365.38256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1C)C2=CC=C(C=C2)C)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1C)C2=CC=C(C=C2)C)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O4/c1-4-27-20(24)18-14(3)21-22(15-11-9-13(2)10-12-15)19(18)16-7-5-6-8-17(16)23(25)26/h5-12H,4H2,1-3H3