3-bromanyl-N-[(1E)-3,4,4-tris(chloranyl)-2-nitro-1-pyrazol-1-yl-buta-1,3-dienyl]aniline

Systemtic Name: 3-bromanyl-N-[(1E)-3,4,4-tris(chloranyl)-2-nitro-1-pyrazol-1-yl-buta-1,3-dienyl]aniline Openeye Name: 3-bromo-N-[(1E)-3,4,4-trichloro-2-nitro-1-pyrazol-1-yl-buta-1,3-dienyl]aniline CAS Name: 3-bromo-N-[(1E)-3,4,4-trichloro-2-nitro-1-(1-pyrazolyl)buta-1,3-dienyl]aniline IUPAC Name: 3-bromo-N-[(1E)-3,4,4-trichloro-2-nitro-1-pyrazol-1-ylbuta-1,3-dienyl]aniline Traditional Name: (3-bromophenyl)-[(1E)-3,4,4-trichloro-2-nitro-1-pyrazol-1-yl-buta-1,3-dienyl]amine Formula: C13H8BrCl3N4O2 MolecularWeight: 438.49122

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)NC(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])N2C=CC=N2

Isomeric SMILES

C1=CC(=CC(=C1)Br)N/C(=C(/C(=C(Cl)Cl)Cl)\[N+](=O)[O-])/N2C=CC=N2

InChI

InChI=1S/C13H8BrCl3N4O2/c14-8-3-1-4-9(7-8)19-13(20-6-2-5-18-20)11(21(22)23)10(15)12(16)17/h1-7,19H/b13-11+