2-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)-N-[4-chloranyl-1-(phenylmethyl)pyrazol-3-yl]ethanamide

Systemtic Name: 2-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)-N-[4-chloranyl-1-(phenylmethyl)pyrazol-3-yl]ethanamide Openeye Name: N-(1-benzyl-4-chloro-pyrazol-3-yl)-2-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)acetamide CAS Name: 2-(4-bromo-5-methyl-3-nitro-1-pyrazolyl)-N-[4-chloro-1-(phenylmethyl)-3-pyrazolyl]acetamide IUPAC Name: N-(1-benzyl-4-chloropyrazol-3-yl)-2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)acetamide Traditional Name: N-(1-benzyl-4-chloro-pyrazol-3-yl)-2-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)acetamide Formula: C16H14BrClN6O3 MolecularWeight: 453.67776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NC2=NN(C=C2Cl)CC3=CC=CC=C3)[N+](=O)[O-])Br

Isomeric SMILES

CC1=C(C(=NN1CC(=O)NC2=NN(C=C2Cl)CC3=CC=CC=C3)[N+](=O)[O-])Br

InChI

InChI=1S/C16H14BrClN6O3/c1-10-14(17)16(24(26)27)21-23(10)9-13(25)19-15-12(18)8-22(20-15)7-11-5-3-2-4-6-11/h2-6,8H,7,9H2,1H3,(H,19,20,25)