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

Systemtic Name: (phenylmethyl) (4S)-2-(4-nitro-2-phenylmethoxy-phenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate Openeye Name: benzyl (4S)-2-(2-benzyloxy-4-nitro-phenyl)-4,5-dihydrooxazole-4-carboxylate CAS Name: (4S)-2-(4-nitro-2-phenylmethoxyphenyl)-4,5-dihydrooxazole-4-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (4S)-2-(4-nitro-2-phenylmethoxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate Traditional Name: (4S)-2-(2-benzoxy-4-nitro-phenyl)-2-oxazoline-4-carboxylic acid benzyl ester Formula: C24H20N2O6 MolecularWeight: 432.4254

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N=C(O1)C2=C(C=C(C=C2)[N+](=O)[O-])OCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1[C@H](N=C(O1)C2=C(C=C(C=C2)[N+](=O)[O-])OCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C24H20N2O6/c27-24(32-15-18-9-5-2-6-10-18)21-16-31-23(25-21)20-12-11-19(26(28)29)13-22(20)30-14-17-7-3-1-4-8-17/h1-13,21H,14-16H2/t21-/m0/s1