N-[2,2-dimethyl-7-nitro-3-oxidanyl-4-(pentylamino)-3,4-dihydrochromen-6-yl]hexanamide

Systemtic Name: N-[2,2-dimethyl-7-nitro-3-oxidanyl-4-(pentylamino)-3,4-dihydrochromen-6-yl]hexanamide Openeye Name: N-[3-hydroxy-2,2-dimethyl-7-nitro-4-(pentylamino)chroman-6-yl]hexanamide CAS Name: N-[3-hydroxy-2,2-dimethyl-7-nitro-4-(pentylamino)-3,4-dihydro-2H-1-benzopyran-6-yl]hexanamide IUPAC Name: N-[3-hydroxy-2,2-dimethyl-7-nitro-4-(pentylamino)-3,4-dihydrochromen-6-yl]hexanamide Traditional Name: N-[4-(amylamino)-3-hydroxy-2,2-dimethyl-7-nitro-chroman-6-yl]hexanamide Formula: C22H35N3O5 MolecularWeight: 421.5304

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC1=C(C=C2C(=C1)C(C(C(O2)(C)C)O)NCCCCC)[N+](=O)[O-]

Isomeric SMILES

CCCCCC(=O)NC1=C(C=C2C(=C1)C(C(C(O2)(C)C)O)NCCCCC)[N+](=O)[O-]

InChI

InChI=1S/C22H35N3O5/c1-5-7-9-11-19(26)24-16-13-15-18(14-17(16)25(28)29)30-22(3,4)21(27)20(15)23-12-10-8-6-2/h13-14,20-21,23,27H,5-12H2,1-4H3,(H,24,26)