ethyl 5-[3-(4-bromanyl-3-nitro-pyrazol-1-yl)propanoylamino]-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[3-(4-bromanyl-3-nitro-pyrazol-1-yl)propanoylamino]-1-phenyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[3-(4-bromo-3-nitro-pyrazol-1-yl)propanoylamino]-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-[[3-(4-bromo-3-nitro-1-pyrazolyl)-1-oxopropyl]amino]-1-phenyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[3-(4-bromo-3-nitropyrazol-1-yl)propanoylamino]-1-phenylpyrazole-4-carboxylate Traditional Name: 5-[3-(4-bromo-3-nitro-pyrazol-1-yl)propanoylamino]-1-phenyl-pyrazole-4-carboxylic acid ethyl ester Formula: C18H17BrN6O5 MolecularWeight: 477.26878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)NC(=O)CCN3C=C(C(=N3)[N+](=O)[O-])Br

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)NC(=O)CCN3C=C(C(=N3)[N+](=O)[O-])Br

InChI

InChI=1S/C18H17BrN6O5/c1-2-30-18(27)13-10-20-24(12-6-4-3-5-7-12)16(13)21-15(26)8-9-23-11-14(19)17(22-23)25(28)29/h3-7,10-11H,2,8-9H2,1H3,(H,21,26)