(4S,5S)-N,N-diethyl-3-(3-nitrophenyl)-4-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide

Systemtic Name: (4S,5S)-N,N-diethyl-3-(3-nitrophenyl)-4-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide Openeye Name: (4S,5S)-N,N-diethyl-3-(3-nitrophenyl)-4-phenyl-4,5-dihydroisoxazole-5-carboxamide CAS Name: (4S,5S)-N,N-diethyl-3-(3-nitrophenyl)-4-phenyl-4,5-dihydroisoxazole-5-carboxamide IUPAC Name: (4S,5S)-N,N-diethyl-3-(3-nitrophenyl)-4-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide Traditional Name: (4S,5S)-N,N-diethyl-3-(3-nitrophenyl)-4-phenyl-2-isoxazoline-5-carboxamide Formula: C20H21N3O4 MolecularWeight: 367.39844

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1C(C(=NO1)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CCN(CC)C(=O)[C@@H]1[C@H](C(=NO1)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C20H21N3O4/c1-3-22(4-2)20(24)19-17(14-9-6-5-7-10-14)18(21-27-19)15-11-8-12-16(13-15)23(25)26/h5-13,17,19H,3-4H2,1-2H3/t17-,19-/m0/s1