N-(4-chloranyl-3-nitro-phenyl)-4-[4-(2-methylbutan-2-yl)phenoxy]butanamide

Systemtic Name: N-(4-chloranyl-3-nitro-phenyl)-4-[4-(2-methylbutan-2-yl)phenoxy]butanamide Openeye Name: N-(4-chloro-3-nitro-phenyl)-4-[4-(1,1-dimethylpropyl)phenoxy]butanamide CAS Name: N-(4-chloro-3-nitrophenyl)-4-[4-(2-methylbutan-2-yl)phenoxy]butanamide IUPAC Name: N-(4-chloro-3-nitrophenyl)-4-[4-(2-methylbutan-2-yl)phenoxy]butanamide Traditional Name: 4-(4-tert-amylphenoxy)-N-(4-chloro-3-nitro-phenyl)butyramide Formula: C21H25ClN2O4 MolecularWeight: 404.8872

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC=C(C=C1)OCCCC(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCC(C)(C)C1=CC=C(C=C1)OCCCC(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H25ClN2O4/c1-4-21(2,3)15-7-10-17(11-8-15)28-13-5-6-20(25)23-16-9-12-18(22)19(14-16)24(26)27/h7-12,14H,4-6,13H2,1-3H3,(H,23,25)