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

Systemtic Name: methyl 2-[4-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)butanoylamino]benzoate Openeye Name: methyl 2-[4-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)butanoylamino]benzoate CAS Name: 2-[[4-(4-bromo-5-methyl-3-nitro-1-pyrazolyl)-1-oxobutyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[4-(4-bromo-5-methyl-3-nitropyrazol-1-yl)butanoylamino]benzoate Traditional Name: 2-[4-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)butanoylamino]benzoic acid methyl ester Formula: C16H17BrN4O5 MolecularWeight: 425.23398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCCC(=O)NC2=CC=CC=C2C(=O)OC)[N+](=O)[O-])Br

Isomeric SMILES

CC1=C(C(=NN1CCCC(=O)NC2=CC=CC=C2C(=O)OC)[N+](=O)[O-])Br

InChI

InChI=1S/C16H17BrN4O5/c1-10-14(17)15(21(24)25)19-20(10)9-5-8-13(22)18-12-7-4-3-6-11(12)16(23)26-2/h3-4,6-7H,5,8-9H2,1-2H3,(H,18,22)