ethyl 4-[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethoxy]-1-(4-nitrophenyl)pyrazole-3-carboxylate

Systemtic Name: ethyl 4-[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethoxy]-1-(4-nitrophenyl)pyrazole-3-carboxylate Openeye Name: ethyl 4-[2-(3,5-dimethylanilino)-2-oxo-ethoxy]-1-(4-nitrophenyl)pyrazole-3-carboxylate CAS Name: 4-[2-(3,5-dimethylanilino)-2-oxoethoxy]-1-(4-nitrophenyl)-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(3,5-dimethylanilino)-2-oxoethoxy]-1-(4-nitrophenyl)pyrazole-3-carboxylate Traditional Name: 4-[2-(3,5-dimethylanilino)-2-keto-ethoxy]-1-(4-nitrophenyl)pyrazole-3-carboxylic acid ethyl ester Formula: C22H22N4O6 MolecularWeight: 438.43328

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C=C1OCC(=O)NC2=CC(=CC(=C2)C)C)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=NN(C=C1OCC(=O)NC2=CC(=CC(=C2)C)C)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O6/c1-4-31-22(28)21-19(12-25(24-21)17-5-7-18(8-6-17)26(29)30)32-13-20(27)23-16-10-14(2)9-15(3)11-16/h5-12H,4,13H2,1-3H3,(H,23,27)