methyl 3-(4-nitro-3-phenylmethoxy-phenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate

Systemtic Name: methyl 3-(4-nitro-3-phenylmethoxy-phenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate Openeye Name: methyl 3-(3-benzyloxy-4-nitro-phenyl)-4,5-dihydroisoxazole-5-carboxylate CAS Name: 3-(4-nitro-3-phenylmethoxyphenyl)-4,5-dihydroisoxazole-5-carboxylic acid methyl ester IUPAC Name: methyl 3-(4-nitro-3-phenylmethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate Traditional Name: 3-(3-benzoxy-4-nitro-phenyl)-2-isoxazoline-5-carboxylic acid methyl ester Formula: C18H16N2O6 MolecularWeight: 356.32944

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(=NO1)C2=CC(=C(C=C2)[N+](=O)[O-])OCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1CC(=NO1)C2=CC(=C(C=C2)[N+](=O)[O-])OCC3=CC=CC=C3

InChI

InChI=1S/C18H16N2O6/c1-24-18(21)17-10-14(19-26-17)13-7-8-15(20(22)23)16(9-13)25-11-12-5-3-2-4-6-12/h2-9,17H,10-11H2,1H3