4-chloranyl-N-[3-(2-methylpropylcarbamoyl)-4-pyrrolidin-1-yl-phenyl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[3-(2-methylpropylcarbamoyl)-4-pyrrolidin-1-yl-phenyl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[3-(isobutylcarbamoyl)-4-pyrrolidin-1-yl-phenyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[3-[(2-methylpropylamino)-oxomethyl]-4-(1-pyrrolidinyl)phenyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[3-(2-methylpropylcarbamoyl)-4-pyrrolidin-1-ylphenyl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[3-(isobutylcarbamoyl)-4-pyrrolidino-phenyl]-3-nitro-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=CC(=C(C=C2)Cl)[N+](=O)[O-])N3CCCC3

Isomeric SMILES

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

InChI

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