4-[2,4-bis(2,2-dimethylpropyl)phenoxy]-N-(4-chloranyl-3-nitro-phenyl)butanamide

Systemtic Name: 4-[2,4-bis(2,2-dimethylpropyl)phenoxy]-N-(4-chloranyl-3-nitro-phenyl)butanamide Openeye Name: 4-[2,4-bis(2,2-dimethylpropyl)phenoxy]-N-(4-chloro-3-nitro-phenyl)butanamide CAS Name: 4-[2,4-bis(2,2-dimethylpropyl)phenoxy]-N-(4-chloro-3-nitrophenyl)butanamide IUPAC Name: 4-[2,4-bis(2,2-dimethylpropyl)phenoxy]-N-(4-chloro-3-nitrophenyl)butanamide Traditional Name: N-(4-chloro-3-nitro-phenyl)-4-(2,4-dineopentylphenoxy)butyramide Formula: C26H35ClN2O4 MolecularWeight: 475.0201

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC1=CC(=C(C=C1)OCCCC(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-])CC(C)(C)C

Isomeric SMILES

CC(C)(C)CC1=CC(=C(C=C1)OCCCC(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-])CC(C)(C)C

InChI

InChI=1S/C26H35ClN2O4/c1-25(2,3)16-18-9-12-23(19(14-18)17-26(4,5)6)33-13-7-8-24(30)28-20-10-11-21(27)22(15-20)29(31)32/h9-12,14-15H,7-8,13,16-17H2,1-6H3,(H,28,30)