6-[(6-azanyl-2,2-dihexyl-7-nitro-3-oxidanyl-3,4-dihydrochromen-4-yl)amino]hexanamide

Systemtic Name: 6-[(6-azanyl-2,2-dihexyl-7-nitro-3-oxidanyl-3,4-dihydrochromen-4-yl)amino]hexanamide Openeye Name: 6-[(6-amino-2,2-dihexyl-3-hydroxy-7-nitro-chroman-4-yl)amino]hexanamide CAS Name: 6-[(6-amino-2,2-dihexyl-3-hydroxy-7-nitro-3,4-dihydro-2H-1-benzopyran-4-yl)amino]hexanamide IUPAC Name: 6-[(6-amino-2,2-dihexyl-3-hydroxy-7-nitro-3,4-dihydrochromen-4-yl)amino]hexanamide Traditional Name: 6-[(6-amino-2,2-dihexyl-3-hydroxy-7-nitro-chroman-4-yl)amino]hexanamide Formula: C27H46N4O5 MolecularWeight: 506.67794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H46N4O5/c1-3-5-7-11-15-27(16-12-8-6-4-2)26(33)25(30-17-13-9-10-14-24(29)32)20-18-21(28)22(31(34)35)19-23(20)36-27/h18-19,25-26,30,33H,3-17,28H2,1-2H3,(H2,29,32)