ethyl 1-[2-[3-ethoxycarbonyl-1-(4-nitrophenyl)pyrazol-4-yl]oxyethanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[2-[3-ethoxycarbonyl-1-(4-nitrophenyl)pyrazol-4-yl]oxyethanoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-[3-ethoxycarbonyl-1-(4-nitrophenyl)pyrazol-4-yl]oxyacetyl]piperidine-3-carboxylate CAS Name: 1-[2-[[3-ethoxycarbonyl-1-(4-nitrophenyl)-4-pyrazolyl]oxy]-1-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[3-ethoxycarbonyl-1-(4-nitrophenyl)pyrazol-4-yl]oxyacetyl]piperidine-3-carboxylate Traditional Name: 1-[2-[3-carbethoxy-1-(4-nitrophenyl)pyrazol-4-yl]oxyacetyl]nipecotic acid ethyl ester Formula: C22H26N4O8 MolecularWeight: 474.46384

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)COC2=CN(N=C2C(=O)OCC)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)COC2=CN(N=C2C(=O)OCC)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H26N4O8/c1-3-32-21(28)15-6-5-11-24(12-15)19(27)14-34-18-13-25(23-20(18)22(29)33-4-2)16-7-9-17(10-8-16)26(30)31/h7-10,13,15H,3-6,11-12,14H2,1-2H3