4-[(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)methyl]benzoate

Systemtic Name: 4-[(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)methyl]benzoate Openeye Name: 4-[(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)methyl]benzoate CAS Name: 4-[(4-bromo-5-methyl-3-nitro-1-pyrazolyl)methyl]benzoate IUPAC Name: 4-[(4-bromo-5-methyl-3-nitropyrazol-1-yl)methyl]benzoate Traditional Name: 4-[(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)methyl]benzoate Formula: C12H9BrN3O4- MolecularWeight: 339.12156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10BrN3O4/c1-7-10(13)11(16(19)20)14-15(7)6-8-2-4-9(5-3-8)12(17)18/h2-5H,6H2,1H3,(H,17,18)/p-1