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

Systemtic Name: ethyl 5-methyl-1-[4-[2-(2-nitrophenoxy)ethanoylamino]phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 5-methyl-1-[4-[[2-(2-nitrophenoxy)acetyl]amino]phenyl]pyrazole-4-carboxylate CAS Name: 5-methyl-1-[4-[[2-(2-nitrophenoxy)-1-oxoethyl]amino]phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-1-[4-[[2-(2-nitrophenoxy)acetyl]amino]phenyl]pyrazole-4-carboxylate Traditional Name: 5-methyl-1-[4-[[2-(2-nitrophenoxy)acetyl]amino]phenyl]pyrazole-4-carboxylic acid ethyl ester Formula: C21H20N4O6 MolecularWeight: 424.4067

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)NC(=O)COC3=CC=CC=C3[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)NC(=O)COC3=CC=CC=C3[N+](=O)[O-])C

InChI

InChI=1S/C21H20N4O6/c1-3-30-21(27)17-12-22-24(14(17)2)16-10-8-15(9-11-16)23-20(26)13-31-19-7-5-4-6-18(19)25(28)29/h4-12H,3,13H2,1-2H3,(H,23,26)