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

Systemtic Name: methyl 4-[2-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)ethanoylamino]-1-ethyl-pyrazole-3-carboxylate Openeye Name: methyl 4-[[2-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)acetyl]amino]-1-ethyl-pyrazole-3-carboxylate CAS Name: 4-[[2-(4-bromo-5-methyl-3-nitro-1-pyrazolyl)-1-oxoethyl]amino]-1-ethyl-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 4-[[2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)acetyl]amino]-1-ethylpyrazole-3-carboxylate Traditional Name: 4-[[2-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)acetyl]amino]-1-ethyl-pyrazole-3-carboxylic acid methyl ester Formula: C13H15BrN6O5 MolecularWeight: 415.1994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)OC)NC(=O)CN2C(=C(C(=N2)[N+](=O)[O-])Br)C

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)OC)NC(=O)CN2C(=C(C(=N2)[N+](=O)[O-])Br)C

InChI

InChI=1S/C13H15BrN6O5/c1-4-18-5-8(11(16-18)13(22)25-3)15-9(21)6-19-7(2)10(14)12(17-19)20(23)24/h5H,4,6H2,1-3H3,(H,15,21)