4-azanyl-2-butyl-6-nitro-3,4-dihydro-2H-chromen-3-ol

Systemtic Name: 4-azanyl-2-butyl-6-nitro-3,4-dihydro-2H-chromen-3-ol Openeye Name: 4-amino-2-butyl-6-nitro-chroman-3-ol CAS Name: 4-amino-2-butyl-6-nitro-3,4-dihydro-2H-1-benzopyran-3-ol IUPAC Name: 4-amino-2-butyl-6-nitro-3,4-dihydro-2H-chromen-3-ol Traditional Name: 4-amino-2-butyl-6-nitro-chroman-3-ol Formula: C13H18N2O4 MolecularWeight: 266.29302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(C(C2=C(O1)C=CC(=C2)[N+](=O)[O-])N)O

Isomeric SMILES

CCCCC1C(C(C2=C(O1)C=CC(=C2)[N+](=O)[O-])N)O

InChI

InChI=1S/C13H18N2O4/c1-2-3-4-11-13(16)12(14)9-7-8(15(17)18)5-6-10(9)19-11/h5-7,11-13,16H,2-4,14H2,1H3