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

Systemtic Name: N-[2,2-dibutyl-4-(butylamino)-7-nitro-3-oxidanyl-3,4-dihydrochromen-6-yl]-N-pentyl-ethanamide Openeye Name: N-[2,2-dibutyl-4-(butylamino)-3-hydroxy-7-nitro-chroman-6-yl]-N-pentyl-acetamide CAS Name: N-[2,2-dibutyl-4-(butylamino)-3-hydroxy-7-nitro-3,4-dihydro-2H-1-benzopyran-6-yl]-N-pentylacetamide IUPAC Name: N-[2,2-dibutyl-4-(butylamino)-3-hydroxy-7-nitro-3,4-dihydrochromen-6-yl]-N-pentylacetamide Traditional Name: N-amyl-N-[2,2-dibutyl-4-(butylamino)-3-hydroxy-7-nitro-chroman-6-yl]acetamide Formula: C28H47N3O5 MolecularWeight: 505.68988

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(C1=C(C=C2C(=C1)C(C(C(O2)(CCCC)CCCC)O)NCCCC)[N+](=O)[O-])C(=O)C

Isomeric SMILES

CCCCCN(C1=C(C=C2C(=C1)C(C(C(O2)(CCCC)CCCC)O)NCCCC)[N+](=O)[O-])C(=O)C

InChI

InChI=1S/C28H47N3O5/c1-6-10-14-18-30(21(5)32)23-19-22-25(20-24(23)31(34)35)36-28(15-11-7-2,16-12-8-3)27(33)26(22)29-17-13-9-4/h19-20,26-27,29,33H,6-18H2,1-5H3