ethyl 4-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethoxy]-1-(4-nitrophenyl)pyrazole-3-carboxylate

Systemtic Name: ethyl 4-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethoxy]-1-(4-nitrophenyl)pyrazole-3-carboxylate Openeye Name: ethyl 4-(2-tert-butoxy-2-oxo-ethoxy)-1-(4-nitrophenyl)pyrazole-3-carboxylate CAS Name: 4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-1-(4-nitrophenyl)-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-1-(4-nitrophenyl)pyrazole-3-carboxylate Traditional Name: 4-(2-tert-butoxy-2-keto-ethoxy)-1-(4-nitrophenyl)pyrazole-3-carboxylic acid ethyl ester Formula: C18H21N3O7 MolecularWeight: 391.37524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O7/c1-5-26-17(23)16-14(27-11-15(22)28-18(2,3)4)10-20(19-16)12-6-8-13(9-7-12)21(24)25/h6-10H,5,11H2,1-4H3