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

Systemtic Name: (3S)-1-(2-ethylphenyl)-N-[2-[(4-nitrophenyl)amino]ethyl]-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: (3S)-1-(2-ethylphenyl)-N-[2-(4-nitroanilino)ethyl]-5-oxo-pyrrolidine-3-carboxamide CAS Name: (3S)-1-(2-ethylphenyl)-N-[2-(4-nitroanilino)ethyl]-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: (3S)-1-(2-ethylphenyl)-N-[2-(4-nitroanilino)ethyl]-5-oxopyrrolidine-3-carboxamide Traditional Name: (3S)-1-(2-ethylphenyl)-5-keto-N-[2-(4-nitroanilino)ethyl]pyrrolidine-3-carboxamide Formula: C21H24N4O4 MolecularWeight: 396.43966

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N2CC(CC2=O)C(=O)NCCNC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=CC=C1N2C[C@H](CC2=O)C(=O)NCCNC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O4/c1-2-15-5-3-4-6-19(15)24-14-16(13-20(24)26)21(27)23-12-11-22-17-7-9-18(10-8-17)25(28)29/h3-10,16,22H,2,11-14H2,1H3,(H,23,27)/t16-/m0/s1