[2-(dimethylamino)-2-oxidanylidene-ethyl] 2-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]ethanoate

Systemtic Name: [2-(dimethylamino)-2-oxidanylidene-ethyl] 2-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]ethanoate Openeye Name: [2-(dimethylamino)-2-oxo-ethyl] 2-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]acetate CAS Name: 2-[3-(4-nitrophenyl)-1-phenyl-4-pyrazolyl]acetic acid [2-(dimethylamino)-2-oxoethyl] ester IUPAC Name: [2-(dimethylamino)-2-oxoethyl] 2-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]acetate Traditional Name: 2-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]acetic acid [2-(dimethylamino)-2-keto-ethyl] ester Formula: C21H20N4O5 MolecularWeight: 408.4073

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)COC(=O)CC1=CN(N=C1C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CN(C)C(=O)COC(=O)CC1=CN(N=C1C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C21H20N4O5/c1-23(2)19(26)14-30-20(27)12-16-13-24(17-6-4-3-5-7-17)22-21(16)15-8-10-18(11-9-15)25(28)29/h3-11,13H,12,14H2,1-2H3