2-[(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)methyl]benzenecarbonitrile

Systemtic Name: 2-[(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)methyl]benzenecarbonitrile Openeye Name: 2-[(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)methyl]benzonitrile CAS Name: 2-[(4-bromo-5-methyl-3-nitro-1-pyrazolyl)methyl]benzonitrile IUPAC Name: 2-[(4-bromo-5-methyl-3-nitropyrazol-1-yl)methyl]benzonitrile Traditional Name: 2-[(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)methyl]benzonitrile Formula: C12H9BrN4O2 MolecularWeight: 321.12946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2C#N)[N+](=O)[O-])Br

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2C#N)[N+](=O)[O-])Br

InChI

InChI=1S/C12H9BrN4O2/c1-8-11(13)12(17(18)19)15-16(8)7-10-5-3-2-4-9(10)6-14/h2-5H,7H2,1H3