3-[5-(bromomethyl)-1-ethanoyl-3-methyl-pyrazol-4-yl]oxy-5-isocyano-benzenecarbonitrile

Systemtic Name: 3-[5-(bromomethyl)-1-ethanoyl-3-methyl-pyrazol-4-yl]oxy-5-isocyano-benzenecarbonitrile Openeye Name: 3-[1-acetyl-5-(bromomethyl)-3-methyl-pyrazol-4-yl]oxy-5-isocyano-benzonitrile CAS Name: 3-[[1-acetyl-5-(bromomethyl)-3-methyl-4-pyrazolyl]oxy]-5-isocyanobenzonitrile IUPAC Name: 3-[1-acetyl-5-(bromomethyl)-3-methylpyrazol-4-yl]oxy-5-isocyanobenzonitrile Traditional Name: 3-[1-acetyl-5-(bromomethyl)-3-methyl-pyrazol-4-yl]oxy-5-isocyano-benzonitrile Formula: C15H11BrN4O2 MolecularWeight: 359.17744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1OC2=CC(=CC(=C2)[N+]#[C-])C#N)CBr)C(=O)C

Isomeric SMILES

CC1=NN(C(=C1OC2=CC(=CC(=C2)[N+]#[C-])C#N)CBr)C(=O)C

InChI

InChI=1S/C15H11BrN4O2/c1-9-15(14(7-16)20(19-9)10(2)21)22-13-5-11(8-17)4-12(6-13)18-3/h4-6H,7H2,1-2H3