4-(4-tert-butylphenoxy)-N-[(5-nitro-2-oxidanyl-phenyl)methyl]butanamide

Systemtic Name: 4-(4-tert-butylphenoxy)-N-[(5-nitro-2-oxidanyl-phenyl)methyl]butanamide Openeye Name: 4-(4-tert-butylphenoxy)-N-[(2-hydroxy-5-nitro-phenyl)methyl]butanamide CAS Name: 4-(4-tert-butylphenoxy)-N-[(2-hydroxy-5-nitrophenyl)methyl]butanamide IUPAC Name: 4-(4-tert-butylphenoxy)-N-[(2-hydroxy-5-nitrophenyl)methyl]butanamide Traditional Name: 4-(4-tert-butylphenoxy)-N-(2-hydroxy-5-nitro-benzyl)butyramide Formula: C21H26N2O5 MolecularWeight: 386.44154

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCCCC(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCCCC(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])O

InChI

InChI=1S/C21H26N2O5/c1-21(2,3)16-6-9-18(10-7-16)28-12-4-5-20(25)22-14-15-13-17(23(26)27)8-11-19(15)24/h6-11,13,24H,4-5,12,14H2,1-3H3,(H,22,25)