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

Systemtic Name: (phenylmethyl) 1-(2,4-dinitrophenyl)-3-methyl-pyrazole-4-carboxylate Openeye Name: benzyl 1-(2,4-dinitrophenyl)-3-methyl-pyrazole-4-carboxylate CAS Name: 1-(2,4-dinitrophenyl)-3-methyl-4-pyrazolecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-(2,4-dinitrophenyl)-3-methylpyrazole-4-carboxylate Traditional Name: 1-(2,4-dinitrophenyl)-3-methyl-pyrazole-4-carboxylic acid benzyl ester Formula: C18H14N4O6 MolecularWeight: 382.32696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C(=O)OCC2=CC=CC=C2)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C=C1C(=O)OCC2=CC=CC=C2)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H14N4O6/c1-12-15(18(23)28-11-13-5-3-2-4-6-13)10-20(19-12)16-8-7-14(21(24)25)9-17(16)22(26)27/h2-10H,11H2,1H3