methyl 1-[4-nitro-2-(phenylcarbonyl)phenyl]pyrazole-3-carboxylate

Systemtic Name: methyl 1-[4-nitro-2-(phenylcarbonyl)phenyl]pyrazole-3-carboxylate Openeye Name: methyl 1-(2-benzoyl-4-nitro-phenyl)pyrazole-3-carboxylate CAS Name: 1-(2-benzoyl-4-nitrophenyl)-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 1-(2-benzoyl-4-nitrophenyl)pyrazole-3-carboxylate Traditional Name: 1-(2-benzoyl-4-nitro-phenyl)pyrazole-3-carboxylic acid methyl ester Formula: C18H13N3O5 MolecularWeight: 351.31292

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NN(C=C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=NN(C=C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H13N3O5/c1-26-18(23)15-9-10-20(19-15)16-8-7-13(21(24)25)11-14(16)17(22)12-5-3-2-4-6-12/h2-11H,1H3