(4-bromanyl-2-fluoranyl-phenyl) 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzoate

Systemtic Name: (4-bromanyl-2-fluoranyl-phenyl) 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzoate Openeye Name: (4-bromo-2-fluoro-phenyl) 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzoate CAS Name: 4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]benzoic acid (4-bromo-2-fluorophenyl) ester IUPAC Name: (4-bromo-2-fluorophenyl) 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzoate Traditional Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzoic acid (4-bromo-2-fluoro-phenyl) ester Formula: C19H15BrFN3O4 MolecularWeight: 448.242503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)OC3=C(C=C(C=C3)Br)F)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)OC3=C(C=C(C=C3)Br)F)C)[N+](=O)[O-]

InChI

InChI=1S/C19H15BrFN3O4/c1-11-18(24(26)27)12(2)23(22-11)10-13-3-5-14(6-4-13)19(25)28-17-8-7-15(20)9-16(17)21/h3-9H,10H2,1-2H3