N-[[3-(aminomethyl)cyclohexyl]methyl]-2-chloranyl-4-[(4-nitrophenyl)carbonylamino]benzamide

Systemtic Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-2-chloranyl-4-[(4-nitrophenyl)carbonylamino]benzamide Openeye Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-2-chloro-4-[(4-nitrobenzoyl)amino]benzamide CAS Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-2-chloro-4-[[(4-nitrophenyl)-oxomethyl]amino]benzamide IUPAC Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-2-chloro-4-[(4-nitrobenzoyl)amino]benzamide Traditional Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-2-chloro-4-[(4-nitrobenzoyl)amino]benzamide Formula: C22H25ClN4O4 MolecularWeight: 444.9113

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC(C1)CNC(=O)C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])Cl)CN

Isomeric SMILES

C1CC(CC(C1)CNC(=O)C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])Cl)CN

InChI

InChI=1S/C22H25ClN4O4/c23-20-11-17(26-21(28)16-4-7-18(8-5-16)27(30)31)6-9-19(20)22(29)25-13-15-3-1-2-14(10-15)12-24/h4-9,11,14-15H,1-3,10,12-13,24H2,(H,25,29)(H,26,28)