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

Systemtic Name: ethyl 5-[[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]carbamoyl]-2-methyl-pyrazole-3-carboxylate Openeye Name: ethyl 5-[[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]carbamoyl]-2-methyl-pyrazole-3-carboxylate CAS Name: 5-[[3-(3,5-dimethylphenoxy)-5-nitroanilino]-oxomethyl]-2-methyl-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[3-(3,5-dimethylphenoxy)-5-nitrophenyl]carbamoyl]-2-methylpyrazole-3-carboxylate Traditional Name: 5-[[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]carbamoyl]-2-methyl-pyrazole-3-carboxylic acid ethyl ester Formula: C22H22N4O6 MolecularWeight: 438.43328

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=NN1C)C(=O)NC2=CC(=CC(=C2)OC3=CC(=CC(=C3)C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=NN1C)C(=O)NC2=CC(=CC(=C2)OC3=CC(=CC(=C3)C)C)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O6/c1-5-31-22(28)20-12-19(24-25(20)4)21(27)23-15-9-16(26(29)30)11-18(10-15)32-17-7-13(2)6-14(3)8-17/h6-12H,5H2,1-4H3,(H,23,27)