N-[2-chloranyl-5-(propanoylamino)phenyl]-4-(4-methylpiperidin-1-yl)-3-nitro-benzamide

Systemtic Name: N-[2-chloranyl-5-(propanoylamino)phenyl]-4-(4-methylpiperidin-1-yl)-3-nitro-benzamide Openeye Name: N-[2-chloro-5-(propanoylamino)phenyl]-4-(4-methyl-1-piperidyl)-3-nitro-benzamide CAS Name: N-[2-chloro-5-(1-oxopropylamino)phenyl]-4-(4-methyl-1-piperidinyl)-3-nitrobenzamide IUPAC Name: N-[2-chloro-5-(propanoylamino)phenyl]-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide Traditional Name: N-(2-chloro-5-propionamido-phenyl)-4-(4-methylpiperidino)-3-nitro-benzamide Formula: C22H25ClN4O4 MolecularWeight: 444.9113

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC(=C(C=C1)Cl)NC(=O)C2=CC(=C(C=C2)N3CCC(CC3)C)[N+](=O)[O-]

Isomeric SMILES

CCC(=O)NC1=CC(=C(C=C1)Cl)NC(=O)C2=CC(=C(C=C2)N3CCC(CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C22H25ClN4O4/c1-3-21(28)24-16-5-6-17(23)18(13-16)25-22(29)15-4-7-19(20(12-15)27(30)31)26-10-8-14(2)9-11-26/h4-7,12-14H,3,8-11H2,1-2H3,(H,24,28)(H,25,29)