ethyl 4-bromanyl-1-(2,4-dinitrophenyl)-5-phenyl-pyrazole-3-carboxylate

Systemtic Name: ethyl 4-bromanyl-1-(2,4-dinitrophenyl)-5-phenyl-pyrazole-3-carboxylate Openeye Name: ethyl 4-bromo-1-(2,4-dinitrophenyl)-5-phenyl-pyrazole-3-carboxylate CAS Name: 4-bromo-1-(2,4-dinitrophenyl)-5-phenyl-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-bromo-1-(2,4-dinitrophenyl)-5-phenylpyrazole-3-carboxylate Traditional Name: 4-bromo-1-(2,4-dinitrophenyl)-5-phenyl-pyrazole-3-carboxylic acid ethyl ester Formula: C18H13BrN4O6 MolecularWeight: 461.22302

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=C1Br)C2=CC=CC=C2)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=NN(C(=C1Br)C2=CC=CC=C2)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H13BrN4O6/c1-2-29-18(24)16-15(19)17(11-6-4-3-5-7-11)21(20-16)13-9-8-12(22(25)26)10-14(13)23(27)28/h3-10H,2H2,1H3