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

Systemtic Name: ethyl 1-(4-nitrophenyl)-4-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethoxy]pyrazole-3-carboxylate Openeye Name: ethyl 1-(4-nitrophenyl)-4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethoxy]pyrazole-3-carboxylate CAS Name: 1-(4-nitrophenyl)-4-[2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethoxy]-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-nitrophenyl)-4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethoxy]pyrazole-3-carboxylate Traditional Name: 4-[2-keto-2-[4-(2-pyrimidyl)piperazino]ethoxy]-1-(4-nitrophenyl)pyrazole-3-carboxylic acid ethyl ester Formula: C22H23N7O6 MolecularWeight: 481.46132

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C=C1OCC(=O)N2CCN(CC2)C3=NC=CC=N3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=NN(C=C1OCC(=O)N2CCN(CC2)C3=NC=CC=N3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H23N7O6/c1-2-34-21(31)20-18(14-28(25-20)16-4-6-17(7-5-16)29(32)33)35-15-19(30)26-10-12-27(13-11-26)22-23-8-3-9-24-22/h3-9,14H,2,10-13,15H2,1H3