(3-bromophenyl)methylidene-[2-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoylamino]ethyl]azanium

Systemtic Name: (3-bromophenyl)methylidene-[2-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoylamino]ethyl]azanium Openeye Name: (3-bromophenyl)methylene-[2-[[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]amino]ethyl]ammonium CAS Name: (3-bromophenyl)methylidene-[2-[[2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-oxoethyl]amino]ethyl]ammonium IUPAC Name: (3-bromophenyl)methylidene-[2-[[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]amino]ethyl]azanium Traditional Name: (3-bromobenzylidene)-[2-[[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]amino]ethyl]ammonium Formula: C16H19BrN5O3+ MolecularWeight: 409.25776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NCC[NH+]=CC2=CC(=CC=C2)Br)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)NCC[NH+]=CC2=CC(=CC=C2)Br)C)[N+](=O)[O-]

InChI

InChI=1S/C16H18BrN5O3/c1-11-16(22(24)25)12(2)21(20-11)10-15(23)19-7-6-18-9-13-4-3-5-14(17)8-13/h3-5,8-9H,6-7,10H2,1-2H3,(H,19,23)/p+1