ethyl 4-(4-bromophenyl)-3-nitro-1H-pyrazole-5-carboxylate

Systemtic Name: ethyl 4-(4-bromophenyl)-3-nitro-1H-pyrazole-5-carboxylate Openeye Name: ethyl 4-(4-bromophenyl)-3-nitro-1H-pyrazole-5-carboxylate CAS Name: 4-(4-bromophenyl)-3-nitro-1H-pyrazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-bromophenyl)-3-nitro-1H-pyrazole-5-carboxylate Traditional Name: 4-(4-bromophenyl)-3-nitro-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)[N+](=O)[O-])C2=CC=C(C=C2)Br

Isomeric SMILES

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

InChI

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