methyl 3-(2-nitrophenyl)-5-[oxidanyl-(5-phenyl-1,2-oxazol-3-yl)methyl]-4H-1,2-oxazole-5-carboxylate

Systemtic Name: methyl 3-(2-nitrophenyl)-5-[oxidanyl-(5-phenyl-1,2-oxazol-3-yl)methyl]-4H-1,2-oxazole-5-carboxylate Openeye Name: methyl 5-[hydroxy-(5-phenylisoxazol-3-yl)methyl]-3-(2-nitrophenyl)-4H-isoxazole-5-carboxylate CAS Name: 5-[hydroxy-(5-phenyl-3-isoxazolyl)methyl]-3-(2-nitrophenyl)-4H-isoxazole-5-carboxylic acid methyl ester IUPAC Name: methyl 5-[hydroxy-(5-phenyl-1,2-oxazol-3-yl)methyl]-3-(2-nitrophenyl)-4H-1,2-oxazole-5-carboxylate Traditional Name: 5-[hydroxy-(5-phenylisoxazol-3-yl)methyl]-3-(2-nitrophenyl)-2-isoxazoline-5-carboxylic acid methyl ester Formula: C21H17N3O7 MolecularWeight: 423.37558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CC(=NO1)C2=CC=CC=C2[N+](=O)[O-])C(C3=NOC(=C3)C4=CC=CC=C4)O

Isomeric SMILES

COC(=O)C1(CC(=NO1)C2=CC=CC=C2[N+](=O)[O-])C(C3=NOC(=C3)C4=CC=CC=C4)O

InChI

InChI=1S/C21H17N3O7/c1-29-20(26)21(12-16(23-31-21)14-9-5-6-10-17(14)24(27)28)19(25)15-11-18(30-22-15)13-7-3-2-4-8-13/h2-11,19,25H,12H2,1H3