N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-5-nitro-furan-2-carboxamide

Systemtic Name: N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-5-nitro-furan-2-carboxamide Openeye Name: N-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-5-nitro-furan-2-carboxamide CAS Name: N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-5-nitro-2-furancarboxamide IUPAC Name: N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-5-nitrofuran-2-carboxamide Traditional Name: N-[4-(2,4-ditert-amylphenoxy)butyl]-5-nitro-2-furamide Formula: C25H36N2O5 MolecularWeight: 444.56374

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=C(C=C1)OCCCCNC(=O)C2=CC=C(O2)[N+](=O)[O-])C(C)(C)CC

Isomeric SMILES

CCC(C)(C)C1=CC(=C(C=C1)OCCCCNC(=O)C2=CC=C(O2)[N+](=O)[O-])C(C)(C)CC

InChI

InChI=1S/C25H36N2O5/c1-7-24(3,4)18-11-12-20(19(17-18)25(5,6)8-2)31-16-10-9-15-26-23(28)21-13-14-22(32-21)27(29)30/h11-14,17H,7-10,15-16H2,1-6H3,(H,26,28)