ethyl 2-methyl-5-[[3-(2-methylphenoxy)-5-nitro-phenyl]carbamoyl]pyrazole-3-carboxylate

Systemtic Name: ethyl 2-methyl-5-[[3-(2-methylphenoxy)-5-nitro-phenyl]carbamoyl]pyrazole-3-carboxylate Openeye Name: ethyl 2-methyl-5-[[3-(2-methylphenoxy)-5-nitro-phenyl]carbamoyl]pyrazole-3-carboxylate CAS Name: 2-methyl-5-[[3-(2-methylphenoxy)-5-nitroanilino]-oxomethyl]-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-5-[[3-(2-methylphenoxy)-5-nitrophenyl]carbamoyl]pyrazole-3-carboxylate Traditional Name: 2-methyl-5-[[3-(2-methylphenoxy)-5-nitro-phenyl]carbamoyl]pyrazole-3-carboxylic acid ethyl ester Formula: C21H20N4O6 MolecularWeight: 424.4067

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=NN1C)C(=O)NC2=CC(=CC(=C2)OC3=CC=CC=C3C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=NN1C)C(=O)NC2=CC(=CC(=C2)OC3=CC=CC=C3C)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O6/c1-4-30-21(27)18-12-17(23-24(18)3)20(26)22-14-9-15(25(28)29)11-16(10-14)31-19-8-6-5-7-13(19)2/h5-12H,4H2,1-3H3,(H,22,26)