ethyl 1-(2,4-dinitrophenyl)-4-methanoyl-pyrazole-3-carboxylate

Systemtic Name: ethyl 1-(2,4-dinitrophenyl)-4-methanoyl-pyrazole-3-carboxylate Openeye Name: ethyl 1-(2,4-dinitrophenyl)-4-formyl-pyrazole-3-carboxylate CAS Name: 1-(2,4-dinitrophenyl)-4-formyl-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2,4-dinitrophenyl)-4-formylpyrazole-3-carboxylate Traditional Name: 1-(2,4-dinitrophenyl)-4-formyl-pyrazole-3-carboxylic acid ethyl ester Formula: C13H10N4O7 MolecularWeight: 334.2411

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10N4O7/c1-2-24-13(19)12-8(7-18)6-15(14-12)10-4-3-9(16(20)21)5-11(10)17(22)23/h3-7H,2H2,1H3