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

Systemtic Name: methyl 2-[2-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)ethanoylamino]benzoate Openeye Name: methyl 2-[[2-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)acetyl]amino]benzoate CAS Name: 2-[[2-(4-bromo-5-methyl-3-nitro-1-pyrazolyl)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)acetyl]amino]benzoate Traditional Name: 2-[[2-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)acetyl]amino]benzoic acid methyl ester Formula: C14H13BrN4O5 MolecularWeight: 397.18082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NC2=CC=CC=C2C(=O)OC)[N+](=O)[O-])Br

Isomeric SMILES

CC1=C(C(=NN1CC(=O)NC2=CC=CC=C2C(=O)OC)[N+](=O)[O-])Br

InChI

InChI=1S/C14H13BrN4O5/c1-8-12(15)13(19(22)23)17-18(8)7-11(20)16-10-6-4-3-5-9(10)14(21)24-2/h3-6H,7H2,1-2H3,(H,16,20)