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

Systemtic Name: N-[4-(butylamino)-7-nitro-3-oxidanyl-2,2-dipentyl-3,4-dihydrochromen-6-yl]-N-methyl-ethanamide Openeye Name: N-[4-(butylamino)-3-hydroxy-7-nitro-2,2-dipentyl-chroman-6-yl]-N-methyl-acetamide CAS Name: N-[4-(butylamino)-3-hydroxy-7-nitro-2,2-dipentyl-3,4-dihydro-2H-1-benzopyran-6-yl]-N-methylacetamide IUPAC Name: N-[4-(butylamino)-3-hydroxy-7-nitro-2,2-dipentyl-3,4-dihydrochromen-6-yl]-N-methylacetamide Traditional Name: N-[2,2-diamyl-4-(butylamino)-3-hydroxy-7-nitro-chroman-6-yl]-N-methyl-acetamide Formula: C26H43N3O5 MolecularWeight: 477.63672

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1(C(C(C2=CC(=C(C=C2O1)[N+](=O)[O-])N(C)C(=O)C)NCCCC)O)CCCCC

Isomeric SMILES

CCCCCC1(C(C(C2=CC(=C(C=C2O1)[N+](=O)[O-])N(C)C(=O)C)NCCCC)O)CCCCC

InChI

InChI=1S/C26H43N3O5/c1-6-9-12-14-26(15-13-10-7-2)25(31)24(27-16-11-8-3)20-17-21(28(5)19(4)30)22(29(32)33)18-23(20)34-26/h17-18,24-25,27,31H,6-16H2,1-5H3