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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33N3O5/c1-7-8-9-10-22-17-13-11-14(23-19(26)20(2,3)4)15(24(27)28)12-16(13)29-21(5,6)18(17)25/h11-12,17-18,22,25H,7-10H2,1-6H3,(H,23,26)