ethyl 5-[[3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-methyl-propanoyl]amino]-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[[3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-methyl-propanoyl]amino]-1-phenyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[[3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-methyl-propanoyl]amino]-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-[[3-(3,5-dimethyl-4-nitro-1-pyrazolyl)-2-methyl-1-oxopropyl]amino]-1-phenyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[3-(3,5-dimethyl-4-nitropyrazol-1-yl)-2-methylpropanoyl]amino]-1-phenylpyrazole-4-carboxylate Traditional Name: 5-[[3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-methyl-propanoyl]amino]-1-phenyl-pyrazole-4-carboxylic acid ethyl ester Formula: C21H24N6O5 MolecularWeight: 440.45246

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)C(C)CN3C(=C(C(=N3)C)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)NC(=O)C(C)CN3C(=C(C(=N3)C)[N+](=O)[O-])C

InChI

InChI=1S/C21H24N6O5/c1-5-32-21(29)17-11-22-26(16-9-7-6-8-10-16)19(17)23-20(28)13(2)12-25-15(4)18(27(30)31)14(3)24-25/h6-11,13H,5,12H2,1-4H3,(H,23,28)