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

Systemtic Name: N-[2,2-dimethyl-7-nitro-3-oxidanyl-4-(pentylamino)-3,4-dihydrochromen-6-yl]ethanamide Openeye Name: N-[3-hydroxy-2,2-dimethyl-7-nitro-4-(pentylamino)chroman-6-yl]acetamide CAS Name: N-[3-hydroxy-2,2-dimethyl-7-nitro-4-(pentylamino)-3,4-dihydro-2H-1-benzopyran-6-yl]acetamide IUPAC Name: N-[3-hydroxy-2,2-dimethyl-7-nitro-4-(pentylamino)-3,4-dihydrochromen-6-yl]acetamide Traditional Name: N-[4-(amylamino)-3-hydroxy-2,2-dimethyl-7-nitro-chroman-6-yl]acetamide Formula: C18H27N3O5 MolecularWeight: 365.42408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O5/c1-5-6-7-8-19-16-12-9-13(20-11(2)22)14(21(24)25)10-15(12)26-18(3,4)17(16)23/h9-10,16-17,19,23H,5-8H2,1-4H3,(H,20,22)