N-[3-[[(2-azanylcyclohexyl)-ethanoyl-amino]methyl]-4-chloranyl-phenyl]-4-nitro-benzamide

Systemtic Name: N-[3-[[(2-azanylcyclohexyl)-ethanoyl-amino]methyl]-4-chloranyl-phenyl]-4-nitro-benzamide Openeye Name: N-[3-[[acetyl-(2-aminocyclohexyl)amino]methyl]-4-chloro-phenyl]-4-nitro-benzamide CAS Name: N-[3-[[acetyl-(2-aminocyclohexyl)amino]methyl]-4-chlorophenyl]-4-nitrobenzamide IUPAC Name: N-[3-[[acetyl-(2-aminocyclohexyl)amino]methyl]-4-chlorophenyl]-4-nitrobenzamide Traditional Name: N-[3-[[acetyl-(2-aminocyclohexyl)amino]methyl]-4-chloro-phenyl]-4-nitro-benzamide Formula: C22H25ClN4O4 MolecularWeight: 444.9113

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(CC1=C(C=CC(=C1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])Cl)C3CCCCC3N

Isomeric SMILES

CC(=O)N(CC1=C(C=CC(=C1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])Cl)C3CCCCC3N

InChI

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