ethyl 4-[2-(tert-butylamino)-2-oxidanylidene-ethoxy]-1-(4-nitrophenyl)pyrazole-3-carboxylate

Systemtic Name: ethyl 4-[2-(tert-butylamino)-2-oxidanylidene-ethoxy]-1-(4-nitrophenyl)pyrazole-3-carboxylate Openeye Name: ethyl 4-[2-(tert-butylamino)-2-oxo-ethoxy]-1-(4-nitrophenyl)pyrazole-3-carboxylate CAS Name: 4-[2-(tert-butylamino)-2-oxoethoxy]-1-(4-nitrophenyl)-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(tert-butylamino)-2-oxoethoxy]-1-(4-nitrophenyl)pyrazole-3-carboxylate Traditional Name: 4-[2-(tert-butylamino)-2-keto-ethoxy]-1-(4-nitrophenyl)pyrazole-3-carboxylic acid ethyl ester Formula: C18H22N4O6 MolecularWeight: 390.39048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O6/c1-5-27-17(24)16-14(28-11-15(23)19-18(2,3)4)10-21(20-16)12-6-8-13(9-7-12)22(25)26/h6-10H,5,11H2,1-4H3,(H,19,23)