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

Systemtic Name: ethyl 5-[(4-bromanyl-3-nitro-1H-pyrazol-5-yl)carbonylamino]-1-phenyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[(4-bromo-3-nitro-1H-pyrazole-5-carbonyl)amino]-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-[[(4-bromo-3-nitro-1H-pyrazol-5-yl)-oxomethyl]amino]-1-phenyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(4-bromo-3-nitro-1H-pyrazole-5-carbonyl)amino]-1-phenylpyrazole-4-carboxylate Traditional Name: 5-[(4-bromo-3-nitro-1H-pyrazole-5-carbonyl)amino]-1-phenyl-pyrazole-4-carboxylic acid ethyl ester Formula: C16H13BrN6O5 MolecularWeight: 449.21562

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)NC(=O)C3=C(C(=NN3)[N+](=O)[O-])Br

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)NC(=O)C3=C(C(=NN3)[N+](=O)[O-])Br

InChI

InChI=1S/C16H13BrN6O5/c1-2-28-16(25)10-8-18-22(9-6-4-3-5-7-9)13(10)19-15(24)12-11(17)14(21-20-12)23(26)27/h3-8H,2H2,1H3,(H,19,24)(H,20,21)