[1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-methoxy-1-phenyl-pyrazole-3-carboxylate

Systemtic Name: [1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-methoxy-1-phenyl-pyrazole-3-carboxylate Openeye Name: [1-methyl-2-(2-nitroanilino)-2-oxo-ethyl] 4-methoxy-1-phenyl-pyrazole-3-carboxylate CAS Name: 4-methoxy-1-phenyl-3-pyrazolecarboxylic acid [1-(2-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-nitroanilino)-1-oxopropan-2-yl] 4-methoxy-1-phenylpyrazole-3-carboxylate Traditional Name: 4-methoxy-1-phenyl-pyrazole-3-carboxylic acid [2-keto-1-methyl-2-(2-nitroanilino)ethyl] ester Formula: C20H18N4O6 MolecularWeight: 410.38012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])OC(=O)C2=NN(C=C2OC)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])OC(=O)C2=NN(C=C2OC)C3=CC=CC=C3

InChI

InChI=1S/C20H18N4O6/c1-13(19(25)21-15-10-6-7-11-16(15)24(27)28)30-20(26)18-17(29-2)12-23(22-18)14-8-4-3-5-9-14/h3-13H,1-2H3,(H,21,25)