N-[2,2-di(butan-2-yl)-4-(butylamino)-7-nitro-3-oxidanyl-3,4-dihydrochromen-6-yl]-N-hexyl-ethanamide

Systemtic Name: N-[2,2-di(butan-2-yl)-4-(butylamino)-7-nitro-3-oxidanyl-3,4-dihydrochromen-6-yl]-N-hexyl-ethanamide Openeye Name: N-[4-(butylamino)-3-hydroxy-7-nitro-2,2-disec-butyl-chroman-6-yl]-N-hexyl-acetamide CAS Name: N-[2,2-di(butan-2-yl)-4-(butylamino)-3-hydroxy-7-nitro-3,4-dihydro-2H-1-benzopyran-6-yl]-N-hexylacetamide IUPAC Name: N-[2,2-di(butan-2-yl)-4-(butylamino)-3-hydroxy-7-nitro-3,4-dihydrochromen-6-yl]-N-hexylacetamide Traditional Name: N-[4-(butylamino)-3-hydroxy-7-nitro-2,2-disec-butyl-chroman-6-yl]-N-hexyl-acetamide Formula: C29H49N3O5 MolecularWeight: 519.71646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(C1=C(C=C2C(=C1)C(C(C(O2)(C(C)CC)C(C)CC)O)NCCCC)[N+](=O)[O-])C(=O)C

Isomeric SMILES

CCCCCCN(C1=C(C=C2C(=C1)C(C(C(O2)(C(C)CC)C(C)CC)O)NCCCC)[N+](=O)[O-])C(=O)C

InChI

InChI=1S/C29H49N3O5/c1-8-12-14-15-17-31(22(7)33)24-18-23-26(19-25(24)32(35)36)37-29(20(5)10-3,21(6)11-4)28(34)27(23)30-16-13-9-2/h18-21,27-28,30,34H,8-17H2,1-7H3