2-[1-adamantylmethyl(methyl)amino]-N-(2-chloranyl-4-nitro-phenyl)ethanamide

Systemtic Name: 2-[1-adamantylmethyl(methyl)amino]-N-(2-chloranyl-4-nitro-phenyl)ethanamide Openeye Name: 2-[1-adamantylmethyl(methyl)amino]-N-(2-chloro-4-nitro-phenyl)acetamide CAS Name: 2-[1-adamantylmethyl(methyl)amino]-N-(2-chloro-4-nitrophenyl)acetamide IUPAC Name: 2-[1-adamantylmethyl(methyl)amino]-N-(2-chloro-4-nitrophenyl)acetamide Traditional Name: 2-[1-adamantylmethyl(methyl)amino]-N-(2-chloro-4-nitro-phenyl)acetamide Formula: C20H26ClN3O3 MolecularWeight: 391.89174

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl)CC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CN(CC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl)CC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C20H26ClN3O3/c1-23(12-20-8-13-4-14(9-20)6-15(5-13)10-20)11-19(25)22-18-3-2-16(24(26)27)7-17(18)21/h2-3,7,13-15H,4-6,8-12H2,1H3,(H,22,25)