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

Systemtic Name: N-(4-azanyl-5-chloranyl-3-nitro-2-oxidanyl-phenyl)-2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanamide Openeye Name: N-(4-amino-5-chloro-2-hydroxy-3-nitro-phenyl)-2-[2,4-bis(1,1-dimethylpropyl)phenoxy]butanamide CAS Name: N-(4-amino-5-chloro-2-hydroxy-3-nitrophenyl)-2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanamide IUPAC Name: N-(4-amino-5-chloro-2-hydroxy-3-nitrophenyl)-2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanamide Traditional Name: N-(4-amino-5-chloro-2-hydroxy-3-nitro-phenyl)-2-(2,4-ditert-amylphenoxy)butyramide Formula: C26H36ClN3O5 MolecularWeight: 506.03414

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C26H36ClN3O5/c1-8-19(24(32)29-18-14-17(27)21(28)22(23(18)31)30(33)34)35-20-12-11-15(25(4,5)9-2)13-16(20)26(6,7)10-3/h11-14,19,31H,8-10,28H2,1-7H3,(H,29,32)