2-(3,5-ditert-butyl-4-nitro-phenyl)ethyl-[2-(4-oxidanylphenoxy)ethyl]carbamic acid

Systemtic Name: 2-(3,5-ditert-butyl-4-nitro-phenyl)ethyl-[2-(4-oxidanylphenoxy)ethyl]carbamic acid Openeye Name: 2-(3,5-ditert-butyl-4-nitro-phenyl)ethyl-[2-(4-hydroxyphenoxy)ethyl]carbamic acid CAS Name: 2-(3,5-ditert-butyl-4-nitrophenyl)ethyl-[2-(4-hydroxyphenoxy)ethyl]carbamic acid IUPAC Name: 2-(3,5-ditert-butyl-4-nitrophenyl)ethyl-[2-(4-hydroxyphenoxy)ethyl]carbamic acid Traditional Name: 2-(3,5-ditert-butyl-4-nitro-phenyl)ethyl-[2-(4-hydroxyphenoxy)ethyl]carbamic acid Formula: C25H34N2O6 MolecularWeight: 458.54726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1[N+](=O)[O-])C(C)(C)C)CCN(CCOC2=CC=C(C=C2)O)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1[N+](=O)[O-])C(C)(C)C)CCN(CCOC2=CC=C(C=C2)O)C(=O)O

InChI

InChI=1S/C25H34N2O6/c1-24(2,3)20-15-17(16-21(25(4,5)6)22(20)27(31)32)11-12-26(23(29)30)13-14-33-19-9-7-18(28)8-10-19/h7-10,15-16,28H,11-14H2,1-6H3,(H,29,30)