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

Systemtic Name: 4-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-(4-chloranyl-3-nitro-phenyl)butanamide; methanol Openeye Name: 4-[2,4-bis(1,1-dimethylpropyl)phenoxy]-N-(4-chloro-3-nitro-phenyl)butanamide; methanol CAS Name: 4-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-(4-chloro-3-nitrophenyl)butanamide; methanol IUPAC Name: 4-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-(4-chloro-3-nitrophenyl)butanamide; methanol Traditional Name: N-(4-chloro-3-nitro-phenyl)-4-(2,4-ditert-amylphenoxy)butyramide; methanol Formula: C27H39ClN2O5 MolecularWeight: 507.06196

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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-])C(C)(C)CC.CO

Isomeric SMILES

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

InChI

InChI=1S/C26H35ClN2O4.CH4O/c1-7-25(3,4)18-11-14-23(20(16-18)26(5,6)8-2)33-15-9-10-24(30)28-19-12-13-21(27)22(17-19)29(31)32;1-2/h11-14,16-17H,7-10,15H2,1-6H3,(H,28,30);2H,1H3