N-(4-acetamido-5-chloranyl-3-nitro-2-oxidanyl-phenyl)-2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanamide

Systemtic Name: N-(4-acetamido-5-chloranyl-3-nitro-2-oxidanyl-phenyl)-2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanamide Openeye Name: N-(4-acetamido-5-chloro-2-hydroxy-3-nitro-phenyl)-2-[2,4-bis(1,1-dimethylpropyl)phenoxy]butanamide CAS Name: N-(4-acetamido-5-chloro-2-hydroxy-3-nitrophenyl)-2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanamide IUPAC Name: N-(4-acetamido-5-chloro-2-hydroxy-3-nitrophenyl)-2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanamide Traditional Name: N-(4-acetamido-5-chloro-2-hydroxy-3-nitro-phenyl)-2-(2,4-ditert-amylphenoxy)butyramide Formula: C28H38ClN3O6 MolecularWeight: 548.07082

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=C(C(=C1O)[N+](=O)[O-])NC(=O)C)Cl)OC2=C(C=C(C=C2)C(C)(C)CC)C(C)(C)CC

Isomeric SMILES

CCC(C(=O)NC1=CC(=C(C(=C1O)[N+](=O)[O-])NC(=O)C)Cl)OC2=C(C=C(C=C2)C(C)(C)CC)C(C)(C)CC

InChI

InChI=1S/C28H38ClN3O6/c1-9-21(38-22-13-12-17(27(5,6)10-2)14-18(22)28(7,8)11-3)26(35)31-20-15-19(29)23(30-16(4)33)24(25(20)34)32(36)37/h12-15,21,34H,9-11H2,1-8H3,(H,30,33)(H,31,35)