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

Systemtic Name: methyl 5-[(2-chlorophenyl)-oxidanyl-methyl]-3-(3-nitrophenyl)-4H-1,2-oxazole-5-carboxylate Openeye Name: methyl 5-[(2-chlorophenyl)-hydroxy-methyl]-3-(3-nitrophenyl)-4H-isoxazole-5-carboxylate CAS Name: 5-[(2-chlorophenyl)-hydroxymethyl]-3-(3-nitrophenyl)-4H-isoxazole-5-carboxylic acid methyl ester IUPAC Name: methyl 5-[(2-chlorophenyl)-hydroxymethyl]-3-(3-nitrophenyl)-4H-1,2-oxazole-5-carboxylate Traditional Name: 5-[(2-chlorophenyl)-hydroxy-methyl]-3-(3-nitrophenyl)-2-isoxazoline-5-carboxylic acid methyl ester Formula: C18H15ClN2O6 MolecularWeight: 390.7745

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=CC=CC=C3Cl)O

Isomeric SMILES

COC(=O)C1(CC(=NO1)C2=CC(=CC=C2)[N+](=O)[O-])C(C3=CC=CC=C3Cl)O

InChI

InChI=1S/C18H15ClN2O6/c1-26-17(23)18(16(22)13-7-2-3-8-14(13)19)10-15(20-27-18)11-5-4-6-12(9-11)21(24)25/h2-9,16,22H,10H2,1H3