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

Systemtic Name: 5-[(4-chloranyl-5-ethyl-2-nitro-phenyl)amino]pentane-1,2,3,4-tetrol Openeye Name: 5-(4-chloro-5-ethyl-2-nitro-anilino)pentane-1,2,3,4-tetrol CAS Name: 5-(4-chloro-5-ethyl-2-nitroanilino)pentane-1,2,3,4-tetrol IUPAC Name: 5-(4-chloro-5-ethyl-2-nitroanilino)pentane-1,2,3,4-tetrol Traditional Name: 5-(4-chloro-5-ethyl-2-nitro-anilino)pentane-1,2,3,4-tetrol Formula: C13H19ClN2O6 MolecularWeight: 334.75276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1Cl)[N+](=O)[O-])NCC(C(C(CO)O)O)O

Isomeric SMILES

CCC1=CC(=C(C=C1Cl)[N+](=O)[O-])NCC(C(C(CO)O)O)O

InChI

InChI=1S/C13H19ClN2O6/c1-2-7-3-9(10(16(21)22)4-8(7)14)15-5-11(18)13(20)12(19)6-17/h3-4,11-13,15,17-20H,2,5-6H2,1H3