N-butyl-N-[4-(butylamino)-2,2-diethyl-7-nitro-3-oxidanyl-3,4-dihydrochromen-6-yl]ethanamide

Systemtic Name: N-butyl-N-[4-(butylamino)-2,2-diethyl-7-nitro-3-oxidanyl-3,4-dihydrochromen-6-yl]ethanamide Openeye Name: N-butyl-N-[4-(butylamino)-2,2-diethyl-3-hydroxy-7-nitro-chroman-6-yl]acetamide CAS Name: N-butyl-N-[4-(butylamino)-2,2-diethyl-3-hydroxy-7-nitro-3,4-dihydro-2H-1-benzopyran-6-yl]acetamide IUPAC Name: N-butyl-N-[4-(butylamino)-2,2-diethyl-3-hydroxy-7-nitro-3,4-dihydrochromen-6-yl]acetamide Traditional Name: N-butyl-N-[4-(butylamino)-2,2-diethyl-3-hydroxy-7-nitro-chroman-6-yl]acetamide Formula: C23H37N3O5 MolecularWeight: 435.55698

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1C(C(OC2=CC(=C(C=C12)N(CCCC)C(=O)C)[N+](=O)[O-])(CC)CC)O

Isomeric SMILES

CCCCNC1C(C(OC2=CC(=C(C=C12)N(CCCC)C(=O)C)[N+](=O)[O-])(CC)CC)O

InChI

InChI=1S/C23H37N3O5/c1-6-10-12-24-21-17-14-18(25(16(5)27)13-11-7-2)19(26(29)30)15-20(17)31-23(8-3,9-4)22(21)28/h14-15,21-22,24,28H,6-13H2,1-5H3