ethyl 4-bromanyl-3-(4-nitrophenyl)-1H-pyrazole-5-carboxylate

Systemtic Name: ethyl 4-bromanyl-3-(4-nitrophenyl)-1H-pyrazole-5-carboxylate Openeye Name: ethyl 4-bromo-3-(4-nitrophenyl)-1H-pyrazole-5-carboxylate CAS Name: 4-bromo-3-(4-nitrophenyl)-1H-pyrazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-bromo-3-(4-nitrophenyl)-1H-pyrazole-5-carboxylate Traditional Name: 4-bromo-3-(4-nitrophenyl)-1H-pyrazole-5-carboxylic acid ethyl ester Formula: C12H10BrN3O4 MolecularWeight: 340.1295

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=NN1)C2=CC=C(C=C2)[N+](=O)[O-])Br

Isomeric SMILES

CCOC(=O)C1=C(C(=NN1)C2=CC=C(C=C2)[N+](=O)[O-])Br

InChI

InChI=1S/C12H10BrN3O4/c1-2-20-12(17)11-9(13)10(14-15-11)7-3-5-8(6-4-7)16(18)19/h3-6H,2H2,1H3,(H,14,15)