5-[(5-bromanyl-4-methyl-2-nitro-phenyl)amino]pentane-1,2,3,4-tetrol

Systemtic Name: 5-[(5-bromanyl-4-methyl-2-nitro-phenyl)amino]pentane-1,2,3,4-tetrol Openeye Name: 5-(5-bromo-4-methyl-2-nitro-anilino)pentane-1,2,3,4-tetrol CAS Name: 5-(5-bromo-4-methyl-2-nitroanilino)pentane-1,2,3,4-tetrol IUPAC Name: 5-(5-bromo-4-methyl-2-nitroanilino)pentane-1,2,3,4-tetrol Traditional Name: 5-(5-bromo-4-methyl-2-nitro-anilino)pentane-1,2,3,4-tetrol Formula: C12H17BrN2O6 MolecularWeight: 365.17718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)NCC(C(C(CO)O)O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1Br)NCC(C(C(CO)O)O)O)[N+](=O)[O-]

InChI

InChI=1S/C12H17BrN2O6/c1-6-2-9(15(20)21)8(3-7(6)13)14-4-10(17)12(19)11(18)5-16/h2-3,10-12,14,16-19H,4-5H2,1H3