[5-(acetyloxymethyl)-2-[4-nitro-2-(phenylcarbonyl)phenyl]pyrazol-3-yl]methyl ethanoate

Systemtic Name: [5-(acetyloxymethyl)-2-[4-nitro-2-(phenylcarbonyl)phenyl]pyrazol-3-yl]methyl ethanoate Openeye Name: [5-(acetoxymethyl)-2-(2-benzoyl-4-nitro-phenyl)pyrazol-3-yl]methyl acetate CAS Name: acetic acid [5-(acetyloxymethyl)-2-(2-benzoyl-4-nitrophenyl)-3-pyrazolyl]methyl ester IUPAC Name: [5-(acetyloxymethyl)-2-(2-benzoyl-4-nitrophenyl)pyrazol-3-yl]methyl acetate Traditional Name: acetic acid [5-(acetoxymethyl)-2-(2-benzoyl-4-nitro-phenyl)pyrazol-3-yl]methyl ester Formula: C22H19N3O7 MolecularWeight: 437.40216

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=CC(=NN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3)COC(=O)C

Isomeric SMILES

CC(=O)OCC1=CC(=NN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3)COC(=O)C

InChI

InChI=1S/C22H19N3O7/c1-14(26)31-12-17-10-19(13-32-15(2)27)24(23-17)21-9-8-18(25(29)30)11-20(21)22(28)16-6-4-3-5-7-16/h3-11H,12-13H2,1-2H3