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

Systemtic Name: N-[4-(butylamino)-2,2-dihexyl-7-nitro-3-oxidanyl-3,4-dihydrochromen-6-yl]-N-methyl-ethanamide Openeye Name: N-[4-(butylamino)-2,2-dihexyl-3-hydroxy-7-nitro-chroman-6-yl]-N-methyl-acetamide CAS Name: N-[4-(butylamino)-2,2-dihexyl-3-hydroxy-7-nitro-3,4-dihydro-2H-1-benzopyran-6-yl]-N-methylacetamide IUPAC Name: N-[4-(butylamino)-2,2-dihexyl-3-hydroxy-7-nitro-3,4-dihydrochromen-6-yl]-N-methylacetamide Traditional Name: N-[4-(butylamino)-2,2-dihexyl-3-hydroxy-7-nitro-chroman-6-yl]-N-methyl-acetamide Formula: C28H47N3O5 MolecularWeight: 505.68988

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1(C(C(C2=CC(=C(C=C2O1)[N+](=O)[O-])N(C)C(=O)C)NCCCC)O)CCCCCC

Isomeric SMILES

CCCCCCC1(C(C(C2=CC(=C(C=C2O1)[N+](=O)[O-])N(C)C(=O)C)NCCCC)O)CCCCCC

InChI

InChI=1S/C28H47N3O5/c1-6-9-12-14-16-28(17-15-13-10-7-2)27(33)26(29-18-11-8-3)22-19-23(30(5)21(4)32)24(31(34)35)20-25(22)36-28/h19-20,26-27,29,33H,6-18H2,1-5H3