methyl 4-methanoyl-1-(4-nitrophenyl)pyrazole-3-carboxylate

Systemtic Name: methyl 4-methanoyl-1-(4-nitrophenyl)pyrazole-3-carboxylate Openeye Name: methyl 4-formyl-1-(4-nitrophenyl)pyrazole-3-carboxylate CAS Name: 4-formyl-1-(4-nitrophenyl)-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 4-formyl-1-(4-nitrophenyl)pyrazole-3-carboxylate Traditional Name: 4-formyl-1-(4-nitrophenyl)pyrazole-3-carboxylic acid methyl ester Formula: C12H9N3O5 MolecularWeight: 275.21696

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NN(C=C1C=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=NN(C=C1C=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H9N3O5/c1-20-12(17)11-8(7-16)6-14(13-11)9-2-4-10(5-3-9)15(18)19/h2-7H,1H3