methyl 3-(4-methoxy-3-nitro-phenyl)-1H-pyrazole-5-carboxylate

Systemtic Name: methyl 3-(4-methoxy-3-nitro-phenyl)-1H-pyrazole-5-carboxylate Openeye Name: methyl 3-(4-methoxy-3-nitro-phenyl)-1H-pyrazole-5-carboxylate CAS Name: 3-(4-methoxy-3-nitrophenyl)-1H-pyrazole-5-carboxylic acid methyl ester IUPAC Name: methyl 3-(4-methoxy-3-nitrophenyl)-1H-pyrazole-5-carboxylate Traditional Name: 3-(4-methoxy-3-nitro-phenyl)-1H-pyrazole-5-carboxylic acid methyl ester Formula: C12H11N3O5 MolecularWeight: 277.23284

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NNC(=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NNC(=C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C12H11N3O5/c1-19-11-4-3-7(5-10(11)15(17)18)8-6-9(14-13-8)12(16)20-2/h3-6H,1-2H3,(H,13,14)