5-[(2-chloranyl-4-nitro-phenyl)carbonylamino]-N-(2-methylpropyl)-2-pyrrolidin-1-yl-benzamide

Systemtic Name: 5-[(2-chloranyl-4-nitro-phenyl)carbonylamino]-N-(2-methylpropyl)-2-pyrrolidin-1-yl-benzamide Openeye Name: 5-[(2-chloro-4-nitro-benzoyl)amino]-N-isobutyl-2-pyrrolidin-1-yl-benzamide CAS Name: 5-[[(2-chloro-4-nitrophenyl)-oxomethyl]amino]-N-(2-methylpropyl)-2-(1-pyrrolidinyl)benzamide IUPAC Name: 5-[(2-chloro-4-nitrobenzoyl)amino]-N-(2-methylpropyl)-2-pyrrolidin-1-ylbenzamide Traditional Name: 5-[(2-chloro-4-nitro-benzoyl)amino]-N-isobutyl-2-pyrrolidino-benzamide Formula: C22H25ClN4O4 MolecularWeight: 444.9113

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=C(C=CC(=C1)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)N3CCCC3

Isomeric SMILES

CC(C)CNC(=O)C1=C(C=CC(=C1)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)N3CCCC3

InChI

InChI=1S/C22H25ClN4O4/c1-14(2)13-24-21(28)18-11-15(5-8-20(18)26-9-3-4-10-26)25-22(29)17-7-6-16(27(30)31)12-19(17)23/h5-8,11-12,14H,3-4,9-10,13H2,1-2H3,(H,24,28)(H,25,29)