3-[3-(1-bromoethyl)-1-ethanoyl-5-ethyl-pyrazol-4-yl]oxy-5-isocyano-benzenecarbonitrile

Systemtic Name: 3-[3-(1-bromoethyl)-1-ethanoyl-5-ethyl-pyrazol-4-yl]oxy-5-isocyano-benzenecarbonitrile Openeye Name: 3-[1-acetyl-3-(1-bromoethyl)-5-ethyl-pyrazol-4-yl]oxy-5-isocyano-benzonitrile CAS Name: 3-[[1-acetyl-3-(1-bromoethyl)-5-ethyl-4-pyrazolyl]oxy]-5-isocyanobenzonitrile IUPAC Name: 3-[1-acetyl-3-(1-bromoethyl)-5-ethylpyrazol-4-yl]oxy-5-isocyanobenzonitrile Traditional Name: 3-[1-acetyl-3-(1-bromoethyl)-5-ethyl-pyrazol-4-yl]oxy-5-isocyano-benzonitrile Formula: C17H15BrN4O2 MolecularWeight: 387.2306

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NN1C(=O)C)C(C)Br)OC2=CC(=CC(=C2)[N+]#[C-])C#N

Isomeric SMILES

CCC1=C(C(=NN1C(=O)C)C(C)Br)OC2=CC(=CC(=C2)[N+]#[C-])C#N

InChI

InChI=1S/C17H15BrN4O2/c1-5-15-17(16(10(2)18)21-22(15)11(3)23)24-14-7-12(9-19)6-13(8-14)20-4/h6-8,10H,5H2,1-3H3