(3S)-1-(4-methylphenyl)-N-[2-[(4-nitrophenyl)amino]ethyl]-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: (3S)-1-(4-methylphenyl)-N-[2-[(4-nitrophenyl)amino]ethyl]-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: (3S)-N-[2-(4-nitroanilino)ethyl]-5-oxo-1-(p-tolyl)pyrrolidine-3-carboxamide CAS Name: (3S)-1-(4-methylphenyl)-N-[2-(4-nitroanilino)ethyl]-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: (3S)-1-(4-methylphenyl)-N-[2-(4-nitroanilino)ethyl]-5-oxopyrrolidine-3-carboxamide Traditional Name: (3S)-5-keto-N-[2-(4-nitroanilino)ethyl]-1-(p-tolyl)pyrrolidine-3-carboxamide Formula: C20H22N4O4 MolecularWeight: 382.41308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NCCNC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)N2C[C@H](CC2=O)C(=O)NCCNC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O4/c1-14-2-6-17(7-3-14)23-13-15(12-19(23)25)20(26)22-11-10-21-16-4-8-18(9-5-16)24(27)28/h2-9,15,21H,10-13H2,1H3,(H,22,26)/t15-/m0/s1