[2-[(4-bromanyl-1-ethyl-pyrazol-3-yl)carbonylamino]phenyl]-tert-butylimino-oxidanidyl-azanium

Systemtic Name: [2-[(4-bromanyl-1-ethyl-pyrazol-3-yl)carbonylamino]phenyl]-tert-butylimino-oxidanidyl-azanium Openeye Name: [2-[(4-bromo-1-ethyl-pyrazole-3-carbonyl)amino]phenyl]-tert-butylimino-oxido-ammonium CAS Name: [2-[[(4-bromo-1-ethyl-3-pyrazolyl)-oxomethyl]amino]phenyl]-tert-butylimino-oxidoammonium IUPAC Name: [2-[(4-bromo-1-ethylpyrazole-3-carbonyl)amino]phenyl]-tert-butylimino-oxidoazanium Traditional Name: [2-[(4-bromo-1-ethyl-pyrazole-3-carbonyl)amino]phenyl]-tert-butylimino-oxido-ammonium Formula: C16H20BrN5O2 MolecularWeight: 394.2663

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)NC2=CC=CC=C2[N+](=NC(C)(C)C)[O-])Br

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)NC2=CC=CC=C2[N+](=NC(C)(C)C)[O-])Br

InChI

InChI=1S/C16H20BrN5O2/c1-5-21-10-11(17)14(19-21)15(23)18-12-8-6-7-9-13(12)22(24)20-16(2,3)4/h6-10H,5H2,1-4H3,(H,18,23)