N-[2,5-bis(oxidanylidene)-1-phenyl-pyrrolidin-3-yl]-4-chloranyl-N-(2-methylbutan-2-yl)-3-nitro-benzamide

Systemtic Name: N-[2,5-bis(oxidanylidene)-1-phenyl-pyrrolidin-3-yl]-4-chloranyl-N-(2-methylbutan-2-yl)-3-nitro-benzamide Openeye Name: 4-chloro-N-(1,1-dimethylpropyl)-N-(2,5-dioxo-1-phenyl-pyrrolidin-3-yl)-3-nitro-benzamide CAS Name: 4-chloro-N-(2,5-dioxo-1-phenyl-3-pyrrolidinyl)-N-(2-methylbutan-2-yl)-3-nitrobenzamide IUPAC Name: 4-chloro-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N-(2-methylbutan-2-yl)-3-nitrobenzamide Traditional Name: N-tert-amyl-4-chloro-N-(2,5-diketo-1-phenyl-pyrrolidin-3-yl)-3-nitro-benzamide Formula: C22H22ClN3O5 MolecularWeight: 443.88018

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)N(C1CC(=O)N(C1=O)C2=CC=CC=C2)C(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CCC(C)(C)N(C1CC(=O)N(C1=O)C2=CC=CC=C2)C(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H22ClN3O5/c1-4-22(2,3)25(20(28)14-10-11-16(23)17(12-14)26(30)31)18-13-19(27)24(21(18)29)15-8-6-5-7-9-15/h5-12,18H,4,13H2,1-3H3