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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CC(=NO1)C2=CC=CC=C2[N+](=O)[O-])C(C3=CC(=NO3)C4=CC=CC=C4)O

Isomeric SMILES

COC(=O)C1(CC(=NO1)C2=CC=CC=C2[N+](=O)[O-])C(C3=CC(=NO3)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)18-11-15(22-30-18)13-7-3-2-4-8-13/h2-11,19,25H,12H2,1H3