[(R)-phenyl-[(4S)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methyl] 4-nitrobenzoate

Systemtic Name: [(R)-phenyl-[(4S)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methyl] 4-nitrobenzoate Openeye Name: [(R)-phenyl-[(4S)-2-phenyl-4,5-dihydrooxazol-4-yl]methyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(R)-phenyl-[(4S)-2-phenyl-4,5-dihydrooxazol-4-yl]methyl] ester IUPAC Name: [(R)-phenyl-[(4S)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(R)-phenyl-[(4S)-2-phenyl-2-oxazolin-4-yl]methyl] ester Formula: C23H18N2O5 MolecularWeight: 402.39942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H18N2O5/c26-23(18-11-13-19(14-12-18)25(27)28)30-21(16-7-3-1-4-8-16)20-15-29-22(24-20)17-9-5-2-6-10-17/h1-14,20-21H,15H2/t20-,21+/m0/s1