N-[2,2-ditert-butyl-4-(butylamino)-7-nitro-3-oxidanyl-3,4-dihydrochromen-6-yl]-N-methyl-ethanamide

Systemtic Name: N-[2,2-ditert-butyl-4-(butylamino)-7-nitro-3-oxidanyl-3,4-dihydrochromen-6-yl]-N-methyl-ethanamide Openeye Name: N-[2,2-ditert-butyl-4-(butylamino)-3-hydroxy-7-nitro-chroman-6-yl]-N-methyl-acetamide CAS Name: N-[2,2-ditert-butyl-4-(butylamino)-3-hydroxy-7-nitro-3,4-dihydro-2H-1-benzopyran-6-yl]-N-methylacetamide IUPAC Name: N-[2,2-ditert-butyl-4-(butylamino)-3-hydroxy-7-nitro-3,4-dihydrochromen-6-yl]-N-methylacetamide Traditional Name: N-[2,2-ditert-butyl-4-(butylamino)-3-hydroxy-7-nitro-chroman-6-yl]-N-methyl-acetamide Formula: C24H39N3O5 MolecularWeight: 449.58356

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1C(C(OC2=CC(=C(C=C12)N(C)C(=O)C)[N+](=O)[O-])(C(C)(C)C)C(C)(C)C)O

Isomeric SMILES

CCCCNC1C(C(OC2=CC(=C(C=C12)N(C)C(=O)C)[N+](=O)[O-])(C(C)(C)C)C(C)(C)C)O

InChI

InChI=1S/C24H39N3O5/c1-10-11-12-25-20-16-13-17(26(9)15(2)28)18(27(30)31)14-19(16)32-24(21(20)29,22(3,4)5)23(6,7)8/h13-14,20-21,25,29H,10-12H2,1-9H3