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

Systemtic Name: N-[2,2-dimethyl-7-nitro-3-oxidanyl-4-(pentylamino)-3,4-dihydrochromen-6-yl]pentanamide Openeye Name: N-[3-hydroxy-2,2-dimethyl-7-nitro-4-(pentylamino)chroman-6-yl]pentanamide CAS Name: N-[3-hydroxy-2,2-dimethyl-7-nitro-4-(pentylamino)-3,4-dihydro-2H-1-benzopyran-6-yl]pentanamide IUPAC Name: N-[3-hydroxy-2,2-dimethyl-7-nitro-4-(pentylamino)-3,4-dihydrochromen-6-yl]pentanamide Traditional Name: N-[4-(amylamino)-3-hydroxy-2,2-dimethyl-7-nitro-chroman-6-yl]valeramide Formula: C21H33N3O5 MolecularWeight: 407.50382

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC1C(C(OC2=CC(=C(C=C12)NC(=O)CCCC)[N+](=O)[O-])(C)C)O

Isomeric SMILES

CCCCCNC1C(C(OC2=CC(=C(C=C12)NC(=O)CCCC)[N+](=O)[O-])(C)C)O

InChI

InChI=1S/C21H33N3O5/c1-5-7-9-11-22-19-14-12-15(23-18(25)10-8-6-2)16(24(27)28)13-17(14)29-21(3,4)20(19)26/h12-13,19-20,22,26H,5-11H2,1-4H3,(H,23,25)