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

Systemtic Name: 4-[2-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)ethanoylamino]benzamide Openeye Name: 4-[[2-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)acetyl]amino]benzamide CAS Name: 4-[[2-(4-bromo-5-methyl-3-nitro-1-pyrazolyl)-1-oxoethyl]amino]benzamide IUPAC Name: 4-[[2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)acetyl]amino]benzamide Traditional Name: 4-[[2-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)acetyl]amino]benzamide Formula: C13H12BrN5O4 MolecularWeight: 382.16948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NC2=CC=C(C=C2)C(=O)N)[N+](=O)[O-])Br

Isomeric SMILES

CC1=C(C(=NN1CC(=O)NC2=CC=C(C=C2)C(=O)N)[N+](=O)[O-])Br

InChI

InChI=1S/C13H12BrN5O4/c1-7-11(14)13(19(22)23)17-18(7)6-10(20)16-9-4-2-8(3-5-9)12(15)21/h2-5H,6H2,1H3,(H2,15,21)(H,16,20)