ethyl 5-methyl-1-[3-[2-(2-nitrophenyl)ethanoylamino]phenyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 5-methyl-1-[3-[2-(2-nitrophenyl)ethanoylamino]phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 5-methyl-1-[3-[[2-(2-nitrophenyl)acetyl]amino]phenyl]pyrazole-4-carboxylate CAS Name: 5-methyl-1-[3-[[2-(2-nitrophenyl)-1-oxoethyl]amino]phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-1-[3-[[2-(2-nitrophenyl)acetyl]amino]phenyl]pyrazole-4-carboxylate Traditional Name: 5-methyl-1-[3-[[2-(2-nitrophenyl)acetyl]amino]phenyl]pyrazole-4-carboxylic acid ethyl ester Formula: C21H20N4O5 MolecularWeight: 408.4073

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)CC3=CC=CC=C3[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC(=CC=C2)NC(=O)CC3=CC=CC=C3[N+](=O)[O-])C

InChI

InChI=1S/C21H20N4O5/c1-3-30-21(27)18-13-22-24(14(18)2)17-9-6-8-16(12-17)23-20(26)11-15-7-4-5-10-19(15)25(28)29/h4-10,12-13H,3,11H2,1-2H3,(H,23,26)