ethyl 4-[2-(3-methylbutan-2-ylamino)-2-oxidanylidene-ethoxy]-1-(4-nitrophenyl)pyrazole-3-carboxylate

Systemtic Name: ethyl 4-[2-(3-methylbutan-2-ylamino)-2-oxidanylidene-ethoxy]-1-(4-nitrophenyl)pyrazole-3-carboxylate Openeye Name: ethyl 4-[2-(1,2-dimethylpropylamino)-2-oxo-ethoxy]-1-(4-nitrophenyl)pyrazole-3-carboxylate CAS Name: 4-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]-1-(4-nitrophenyl)-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]-1-(4-nitrophenyl)pyrazole-3-carboxylate Traditional Name: 4-[2-(1,2-dimethylpropylamino)-2-keto-ethoxy]-1-(4-nitrophenyl)pyrazole-3-carboxylic acid ethyl ester Formula: C19H24N4O6 MolecularWeight: 404.41706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N4O6/c1-5-28-19(25)18-16(29-11-17(24)20-13(4)12(2)3)10-22(21-18)14-6-8-15(9-7-14)23(26)27/h6-10,12-13H,5,11H2,1-4H3,(H,20,24)