(3S)-N-(2-bromanyl-4-nitro-phenyl)-1-cyclohexyl-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: (3S)-N-(2-bromanyl-4-nitro-phenyl)-1-cyclohexyl-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: (3S)-N-(2-bromo-4-nitro-phenyl)-1-cyclohexyl-5-oxo-pyrrolidine-3-carboxamide CAS Name: (3S)-N-(2-bromo-4-nitrophenyl)-1-cyclohexyl-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: (3S)-N-(2-bromo-4-nitrophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide Traditional Name: (3S)-N-(2-bromo-4-nitro-phenyl)-1-cyclohexyl-5-keto-pyrrolidine-3-carboxamide Formula: C17H20BrN3O4 MolecularWeight: 410.2624

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CC(CC2=O)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Br

Isomeric SMILES

C1CCC(CC1)N2C[C@H](CC2=O)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Br

InChI

InChI=1S/C17H20BrN3O4/c18-14-9-13(21(24)25)6-7-15(14)19-17(23)11-8-16(22)20(10-11)12-4-2-1-3-5-12/h6-7,9,11-12H,1-5,8,10H2,(H,19,23)/t11-/m0/s1