2,2-dimethyl-6-(methylamino)-7-nitro-4-(pentylamino)-3,4-dihydrochromen-3-ol

Systemtic Name: 2,2-dimethyl-6-(methylamino)-7-nitro-4-(pentylamino)-3,4-dihydrochromen-3-ol Openeye Name: 2,2-dimethyl-6-(methylamino)-7-nitro-4-(pentylamino)chroman-3-ol CAS Name: 2,2-dimethyl-6-(methylamino)-7-nitro-4-(pentylamino)-3,4-dihydro-2H-1-benzopyran-3-ol IUPAC Name: 2,2-dimethyl-6-(methylamino)-7-nitro-4-(pentylamino)-3,4-dihydrochromen-3-ol Traditional Name: 4-(amylamino)-2,2-dimethyl-6-(methylamino)-7-nitro-chroman-3-ol Formula: C17H27N3O4 MolecularWeight: 337.41398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N3O4/c1-5-6-7-8-19-15-11-9-12(18-4)13(20(22)23)10-14(11)24-17(2,3)16(15)21/h9-10,15-16,18-19,21H,5-8H2,1-4H3