ethyl 4-[2-[di(propan-2-yl)amino]-2-oxidanylidene-ethoxy]-1-(4-nitrophenyl)pyrazole-3-carboxylate

Systemtic Name: ethyl 4-[2-[di(propan-2-yl)amino]-2-oxidanylidene-ethoxy]-1-(4-nitrophenyl)pyrazole-3-carboxylate Openeye Name: ethyl 4-[2-(diisopropylamino)-2-oxo-ethoxy]-1-(4-nitrophenyl)pyrazole-3-carboxylate CAS Name: 4-[2-[di(propan-2-yl)amino]-2-oxoethoxy]-1-(4-nitrophenyl)-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[di(propan-2-yl)amino]-2-oxoethoxy]-1-(4-nitrophenyl)pyrazole-3-carboxylate Traditional Name: 4-[2-(diisopropylamino)-2-keto-ethoxy]-1-(4-nitrophenyl)pyrazole-3-carboxylic acid ethyl ester Formula: C20H26N4O6 MolecularWeight: 418.44364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O6/c1-6-29-20(26)19-17(30-12-18(25)23(13(2)3)14(4)5)11-22(21-19)15-7-9-16(10-8-15)24(27)28/h7-11,13-14H,6,12H2,1-5H3