ethyl 1-(2,4-dinitrophenyl)-5-methyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 1-(2,4-dinitrophenyl)-5-methyl-pyrazole-4-carboxylate Openeye Name: ethyl 1-(2,4-dinitrophenyl)-5-methyl-pyrazole-4-carboxylate CAS Name: 1-(2,4-dinitrophenyl)-5-methyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2,4-dinitrophenyl)-5-methylpyrazole-4-carboxylate Traditional Name: 1-(2,4-dinitrophenyl)-5-methyl-pyrazole-4-carboxylic acid ethyl ester Formula: C13H12N4O6 MolecularWeight: 320.25758

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C

InChI

InChI=1S/C13H12N4O6/c1-3-23-13(18)10-7-14-15(8(10)2)11-5-4-9(16(19)20)6-12(11)17(21)22/h4-7H,3H2,1-2H3