ethyl 2-[[3-(3-nitrophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-phenyl-pyrazole-3-carboxylate

Systemtic Name: ethyl 2-[[3-(3-nitrophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-phenyl-pyrazole-3-carboxylate Openeye Name: ethyl 2-[[3-(3-nitrophenyl)-4,5-dihydroisoxazol-5-yl]methyl]-5-phenyl-pyrazole-3-carboxylate CAS Name: 2-[[3-(3-nitrophenyl)-4,5-dihydroisoxazol-5-yl]methyl]-5-phenyl-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[3-(3-nitrophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-phenylpyrazole-3-carboxylate Traditional Name: 2-[[3-(3-nitrophenyl)-2-isoxazolin-5-yl]methyl]-5-phenyl-pyrazole-3-carboxylic acid ethyl ester Formula: C22H20N4O5 MolecularWeight: 420.418

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=NN1CC2CC(=NO2)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC(=NN1CC2CC(=NO2)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C22H20N4O5/c1-2-30-22(27)21-13-19(15-7-4-3-5-8-15)23-25(21)14-18-12-20(24-31-18)16-9-6-10-17(11-16)26(28)29/h3-11,13,18H,2,12,14H2,1H3