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

Systemtic Name: 2-[[3-(3-nitrophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-phenyl-pyrazole-3-carboxylic acid Openeye Name: 2-[[3-(3-nitrophenyl)-4,5-dihydroisoxazol-5-yl]methyl]-5-phenyl-pyrazole-3-carboxylic acid CAS Name: 2-[[3-(3-nitrophenyl)-4,5-dihydroisoxazol-5-yl]methyl]-5-phenyl-3-pyrazolecarboxylic acid IUPAC Name: 2-[[3-(3-nitrophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-phenylpyrazole-3-carboxylic acid Traditional Name: 2-[[3-(3-nitrophenyl)-2-isoxazolin-5-yl]methyl]-5-phenyl-pyrazole-3-carboxylic acid Formula: C20H16N4O5 MolecularWeight: 392.36484

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Descriptors Computed from Structure

Canonical SMILES:

C1C(ON=C1C2=CC(=CC=C2)[N+](=O)[O-])CN3C(=CC(=N3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1C(ON=C1C2=CC(=CC=C2)[N+](=O)[O-])CN3C(=CC(=N3)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C20H16N4O5/c25-20(26)19-11-17(13-5-2-1-3-6-13)21-23(19)12-16-10-18(22-29-16)14-7-4-8-15(9-14)24(27)28/h1-9,11,16H,10,12H2,(H,25,26)