4-[(4-tert-butylcyclohexyl)-[(4-chlorophenyl)carbamoylamino]methyl]-N-(3-nitro-4-oxidanyl-phenyl)benzamide

Systemtic Name: 4-[(4-tert-butylcyclohexyl)-[(4-chlorophenyl)carbamoylamino]methyl]-N-(3-nitro-4-oxidanyl-phenyl)benzamide Openeye Name: 4-[(4-tert-butylcyclohexyl)-[(4-chlorophenyl)carbamoylamino]methyl]-N-(4-hydroxy-3-nitro-phenyl)benzamide CAS Name: 4-[(4-tert-butylcyclohexyl)-[[(4-chloroanilino)-oxomethyl]amino]methyl]-N-(4-hydroxy-3-nitrophenyl)benzamide IUPAC Name: 4-[(4-tert-butylcyclohexyl)-[(4-chlorophenyl)carbamoylamino]methyl]-N-(4-hydroxy-3-nitrophenyl)benzamide Traditional Name: 4-[(4-tert-butylcyclohexyl)-[(4-chlorophenyl)carbamoylamino]methyl]-N-(4-hydroxy-3-nitro-phenyl)benzamide Formula: C31H35ClN4O5 MolecularWeight: 579.0864

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(CC1)C(C2=CC=C(C=C2)C(=O)NC3=CC(=C(C=C3)O)[N+](=O)[O-])NC(=O)NC4=CC=C(C=C4)Cl

Isomeric SMILES

CC(C)(C)C1CCC(CC1)C(C2=CC=C(C=C2)C(=O)NC3=CC(=C(C=C3)O)[N+](=O)[O-])NC(=O)NC4=CC=C(C=C4)Cl

InChI

InChI=1S/C31H35ClN4O5/c1-31(2,3)22-10-8-20(9-11-22)28(35-30(39)34-24-14-12-23(32)13-15-24)19-4-6-21(7-5-19)29(38)33-25-16-17-27(37)26(18-25)36(40)41/h4-7,12-18,20,22,28,37H,8-11H2,1-3H3,(H,33,38)(H2,34,35,39)