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

Systemtic Name: ethyl 4-bromanyl-1-(2,4-dinitrophenyl)pyrazole-3-carboxylate Openeye Name: ethyl 4-bromo-1-(2,4-dinitrophenyl)pyrazole-3-carboxylate CAS Name: 4-bromo-1-(2,4-dinitrophenyl)-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-bromo-1-(2,4-dinitrophenyl)pyrazole-3-carboxylate Traditional Name: 4-bromo-1-(2,4-dinitrophenyl)pyrazole-3-carboxylic acid ethyl ester Formula: C12H9BrN4O6 MolecularWeight: 385.12706

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C=C1Br)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=NN(C=C1Br)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H9BrN4O6/c1-2-23-12(18)11-8(13)6-15(14-11)9-4-3-7(16(19)20)5-10(9)17(21)22/h3-6H,2H2,1H3