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

Systemtic Name: 5-[(5-bromanyl-4-ethyl-2-nitro-phenyl)amino]pentane-1,2,3,4-tetrol Openeye Name: 5-(5-bromo-4-ethyl-2-nitro-anilino)pentane-1,2,3,4-tetrol CAS Name: 5-(5-bromo-4-ethyl-2-nitroanilino)pentane-1,2,3,4-tetrol IUPAC Name: 5-(5-bromo-4-ethyl-2-nitroanilino)pentane-1,2,3,4-tetrol Traditional Name: 5-(5-bromo-4-ethyl-2-nitro-anilino)pentane-1,2,3,4-tetrol Formula: C13H19BrN2O6 MolecularWeight: 379.20376

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1Br)NCC(C(C(CO)O)O)O)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC(=C(C=C1Br)NCC(C(C(CO)O)O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H19BrN2O6/c1-2-7-3-10(16(21)22)9(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