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

Systemtic Name: N-[3-(butan-2-ylcarbamoyl)-4-pyrrolidin-1-yl-phenyl]-4-chloranyl-3-nitro-benzamide Openeye Name: 4-chloro-3-nitro-N-[4-pyrrolidin-1-yl-3-(sec-butylcarbamoyl)phenyl]benzamide CAS Name: N-[3-[(butan-2-ylamino)-oxomethyl]-4-(1-pyrrolidinyl)phenyl]-4-chloro-3-nitrobenzamide IUPAC Name: N-[3-(butan-2-ylcarbamoyl)-4-pyrrolidin-1-ylphenyl]-4-chloro-3-nitrobenzamide Traditional Name: 4-chloro-3-nitro-N-[4-pyrrolidino-3-(sec-butylcarbamoyl)phenyl]benzamide Formula: C22H25ClN4O4 MolecularWeight: 444.9113

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25ClN4O4/c1-3-14(2)24-22(29)17-13-16(7-9-19(17)26-10-4-5-11-26)25-21(28)15-6-8-18(23)20(12-15)27(30)31/h6-9,12-14H,3-5,10-11H2,1-2H3,(H,24,29)(H,25,28)