(NE)-N-[1-(2-bromoethyloxymethyl)-3-[(6-chloranylpyridin-3-yl)methyl]imidazol-2-ylidene]nitramide

Systemtic Name: (NE)-N-[1-(2-bromoethyloxymethyl)-3-[(6-chloranylpyridin-3-yl)methyl]imidazol-2-ylidene]nitramide Openeye Name: (NE)-N-[1-(2-bromoethoxymethyl)-3-[(6-chloro-3-pyridyl)methyl]imidazol-2-ylidene]nitramide CAS Name: (NE)-N-[1-(2-bromoethoxymethyl)-3-[(6-chloro-3-pyridinyl)methyl]-2-imidazolylidene]nitramide IUPAC Name: (NE)-N-[1-(2-bromoethoxymethyl)-3-[(6-chloropyridin-3-yl)methyl]imidazol-2-ylidene]nitramide Traditional Name: (NE)-N-[1-(2-bromoethoxymethyl)-3-[(6-chloro-3-pyridyl)methyl]-4-imidazolin-2-ylidene]nitramide Formula: C12H13BrClN5O3 MolecularWeight: 390.62032

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=NC=C1CN2C=CN(C2=N[N+](=O)[O-])COCCBr)Cl

Isomeric SMILES

C1=CC(=NC=C1CN\2C=CN(/C2=N/[N+](=O)[O-])COCCBr)Cl

InChI

InChI=1S/C12H13BrClN5O3/c13-3-6-22-9-18-5-4-17(12(18)16-19(20)21)8-10-1-2-11(14)15-7-10/h1-2,4-5,7H,3,6,8-9H2/b16-12+