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

Systemtic Name: ethyl 4-[2-[(1-ethylpiperidin-4-yl)amino]-2-oxidanylidene-ethoxy]-1-(4-nitrophenyl)pyrazole-3-carboxylate Openeye Name: ethyl 4-[2-[(1-ethyl-4-piperidyl)amino]-2-oxo-ethoxy]-1-(4-nitrophenyl)pyrazole-3-carboxylate CAS Name: 4-[2-[(1-ethyl-4-piperidinyl)amino]-2-oxoethoxy]-1-(4-nitrophenyl)-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(1-ethylpiperidin-4-yl)amino]-2-oxoethoxy]-1-(4-nitrophenyl)pyrazole-3-carboxylate Traditional Name: 4-[2-[(1-ethyl-4-piperidyl)amino]-2-keto-ethoxy]-1-(4-nitrophenyl)pyrazole-3-carboxylic acid ethyl ester Formula: C21H27N5O6 MolecularWeight: 445.46898

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC(CC1)NC(=O)COC2=CN(N=C2C(=O)OCC)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCN1CCC(CC1)NC(=O)COC2=CN(N=C2C(=O)OCC)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H27N5O6/c1-3-24-11-9-15(10-12-24)22-19(27)14-32-18-13-25(23-20(18)21(28)31-4-2)16-5-7-17(8-6-16)26(29)30/h5-8,13,15H,3-4,9-12,14H2,1-2H3,(H,22,27)