N-(4-tert-butylcyclohexyl)-4-[(2-chloranyl-4-nitro-phenoxy)methyl]benzamide

Systemtic Name: N-(4-tert-butylcyclohexyl)-4-[(2-chloranyl-4-nitro-phenoxy)methyl]benzamide Openeye Name: N-(4-tert-butylcyclohexyl)-4-[(2-chloro-4-nitro-phenoxy)methyl]benzamide CAS Name: N-(4-tert-butylcyclohexyl)-4-[(2-chloro-4-nitrophenoxy)methyl]benzamide IUPAC Name: N-(4-tert-butylcyclohexyl)-4-[(2-chloro-4-nitrophenoxy)methyl]benzamide Traditional Name: N-(4-tert-butylcyclohexyl)-4-[(2-chloro-4-nitro-phenoxy)methyl]benzamide Formula: C24H29ClN2O4 MolecularWeight: 444.95106

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(CC1)NC(=O)C2=CC=C(C=C2)COC3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)(C)C1CCC(CC1)NC(=O)C2=CC=C(C=C2)COC3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C24H29ClN2O4/c1-24(2,3)18-8-10-19(11-9-18)26-23(28)17-6-4-16(5-7-17)15-31-22-13-12-20(27(29)30)14-21(22)25/h4-7,12-14,18-19H,8-11,15H2,1-3H3,(H,26,28)