4-[(4-bromanyl-3-nitro-pyrazol-1-yl)methyl]-5-methyl-1,2-oxazole-3-carboxylate

Systemtic Name: 4-[(4-bromanyl-3-nitro-pyrazol-1-yl)methyl]-5-methyl-1,2-oxazole-3-carboxylate Openeye Name: 4-[(4-bromo-3-nitro-pyrazol-1-yl)methyl]-5-methyl-isoxazole-3-carboxylate CAS Name: 4-[(4-bromo-3-nitro-1-pyrazolyl)methyl]-5-methyl-3-isoxazolecarboxylate IUPAC Name: 4-[(4-bromo-3-nitropyrazol-1-yl)methyl]-5-methyl-1,2-oxazole-3-carboxylate Traditional Name: 4-[(4-bromo-3-nitro-pyrazol-1-yl)methyl]-5-methyl-isoxazole-3-carboxylate Formula: C9H6BrN4O5- MolecularWeight: 330.07174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C(=O)[O-])CN2C=C(C(=N2)[N+](=O)[O-])Br

Isomeric SMILES

CC1=C(C(=NO1)C(=O)[O-])CN2C=C(C(=N2)[N+](=O)[O-])Br

InChI

InChI=1S/C9H7BrN4O5/c1-4-5(7(9(15)16)12-19-4)2-13-3-6(10)8(11-13)14(17)18/h3H,2H2,1H3,(H,15,16)/p-1