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

Systemtic Name: methyl 4-[(4-bromanyl-3-nitro-1H-pyrazol-5-yl)carbonylamino]benzoate Openeye Name: methyl 4-[(4-bromo-3-nitro-1H-pyrazole-5-carbonyl)amino]benzoate CAS Name: 4-[[(4-bromo-3-nitro-1H-pyrazol-5-yl)-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-bromo-3-nitro-1H-pyrazole-5-carbonyl)amino]benzoate Traditional Name: 4-[(4-bromo-3-nitro-1H-pyrazole-5-carbonyl)amino]benzoic acid methyl ester Formula: C12H9BrN4O5 MolecularWeight: 369.12766

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C(=NN2)[N+](=O)[O-])Br

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C(=NN2)[N+](=O)[O-])Br

InChI

InChI=1S/C12H9BrN4O5/c1-22-12(19)6-2-4-7(5-3-6)14-11(18)9-8(13)10(16-15-9)17(20)21/h2-5H,1H3,(H,14,18)(H,15,16)