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

Systemtic Name: [5-(acetyloxymethyl)-2-[2-(2-methanoylphenyl)-4-nitro-phenyl]pyrazol-3-yl]methyl ethanoate Openeye Name: [5-(acetoxymethyl)-2-[2-(2-formylphenyl)-4-nitro-phenyl]pyrazol-3-yl]methyl acetate CAS Name: acetic acid [5-(acetyloxymethyl)-2-[2-(2-formylphenyl)-4-nitrophenyl]-3-pyrazolyl]methyl ester IUPAC Name: [5-(acetyloxymethyl)-2-[2-(2-formylphenyl)-4-nitrophenyl]pyrazol-3-yl]methyl acetate Traditional Name: acetic acid [5-(acetoxymethyl)-2-[2-(2-formylphenyl)-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-])C3=CC=CC=C3C=O)COC(=O)C

Isomeric SMILES

CC(=O)OCC1=CC(=NN1C2=C(C=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3C=O)COC(=O)C

InChI

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