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

Systemtic Name: ethyl 4-[(4-bromanyl-3-nitro-1H-pyrazol-5-yl)carbonylamino]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C13H11BrN4O5 MolecularWeight: 383.15424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11BrN4O5/c1-2-23-13(20)7-3-5-8(6-4-7)15-12(19)10-9(14)11(17-16-10)18(21)22/h3-6H,2H2,1H3,(H,15,19)(H,16,17)