methyl 1-(2,4-dinitrophenyl)-4-phenyl-pyrazole-3-carboxylate

Systemtic Name: methyl 1-(2,4-dinitrophenyl)-4-phenyl-pyrazole-3-carboxylate Openeye Name: methyl 1-(2,4-dinitrophenyl)-4-phenyl-pyrazole-3-carboxylate CAS Name: 1-(2,4-dinitrophenyl)-4-phenyl-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 1-(2,4-dinitrophenyl)-4-phenylpyrazole-3-carboxylate Traditional Name: 1-(2,4-dinitrophenyl)-4-phenyl-pyrazole-3-carboxylic acid methyl ester Formula: C17H12N4O6 MolecularWeight: 368.30038

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NN(C=C1C2=CC=CC=C2)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=NN(C=C1C2=CC=CC=C2)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H12N4O6/c1-27-17(22)16-13(11-5-3-2-4-6-11)10-19(18-16)14-8-7-12(20(23)24)9-15(14)21(25)26/h2-10H,1H3