(3S)-N-(2,6-diethylphenyl)-1-(4-nitrophenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: (3S)-N-(2,6-diethylphenyl)-1-(4-nitrophenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: (3S)-N-(2,6-diethylphenyl)-1-(4-nitrophenyl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: (3S)-N-(2,6-diethylphenyl)-1-(4-nitrophenyl)-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: (3S)-N-(2,6-diethylphenyl)-1-(4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: (3S)-N-(2,6-diethylphenyl)-5-keto-1-(4-nitrophenyl)pyrrolidine-3-carboxamide Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)[C@H]2CC(=O)N(C2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O4/c1-3-14-6-5-7-15(4-2)20(14)22-21(26)16-12-19(25)23(13-16)17-8-10-18(11-9-17)24(27)28/h5-11,16H,3-4,12-13H2,1-2H3,(H,22,26)/t16-/m0/s1