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

Systemtic Name: (3S)-1-cyclohexyl-N-(2-methyl-4-nitro-phenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: (3S)-1-cyclohexyl-N-(2-methyl-4-nitro-phenyl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: (3S)-1-cyclohexyl-N-(2-methyl-4-nitrophenyl)-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: (3S)-1-cyclohexyl-N-(2-methyl-4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: (3S)-1-cyclohexyl-5-keto-N-(2-methyl-4-nitro-phenyl)pyrrolidine-3-carboxamide Formula: C18H23N3O4 MolecularWeight: 345.39292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C2CC(=O)N(C2)C3CCCCC3

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)[C@H]2CC(=O)N(C2)C3CCCCC3

InChI

InChI=1S/C18H23N3O4/c1-12-9-15(21(24)25)7-8-16(12)19-18(23)13-10-17(22)20(11-13)14-5-3-2-4-6-14/h7-9,13-14H,2-6,10-11H2,1H3,(H,19,23)/t13-/m0/s1