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

Systemtic Name: ethyl 4-[2-(3-methylpiperidin-1-yl)-2-oxidanylidene-ethoxy]-1-(4-nitrophenyl)pyrazole-3-carboxylate Openeye Name: ethyl 4-[2-(3-methyl-1-piperidyl)-2-oxo-ethoxy]-1-(4-nitrophenyl)pyrazole-3-carboxylate CAS Name: 4-[2-(3-methyl-1-piperidinyl)-2-oxoethoxy]-1-(4-nitrophenyl)-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(3-methylpiperidin-1-yl)-2-oxoethoxy]-1-(4-nitrophenyl)pyrazole-3-carboxylate Traditional Name: 4-[2-keto-2-(3-methylpiperidino)ethoxy]-1-(4-nitrophenyl)pyrazole-3-carboxylic acid ethyl ester Formula: C20H24N4O6 MolecularWeight: 416.42776

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C=C1OCC(=O)N2CCCC(C2)C)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=NN(C=C1OCC(=O)N2CCCC(C2)C)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H24N4O6/c1-3-29-20(26)19-17(30-13-18(25)22-10-4-5-14(2)11-22)12-23(21-19)15-6-8-16(9-7-15)24(27)28/h6-9,12,14H,3-5,10-11,13H2,1-2H3