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

Systemtic Name: 5-[(4,5-dimethoxy-2-nitro-phenyl)amino]pentane-1,2,3,4-tetrol Openeye Name: 5-(4,5-dimethoxy-2-nitro-anilino)pentane-1,2,3,4-tetrol CAS Name: 5-(4,5-dimethoxy-2-nitroanilino)pentane-1,2,3,4-tetrol IUPAC Name: 5-(4,5-dimethoxy-2-nitroanilino)pentane-1,2,3,4-tetrol Traditional Name: 5-(4,5-dimethoxy-2-nitro-anilino)pentane-1,2,3,4-tetrol Formula: C13H20N2O8 MolecularWeight: 332.3065

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)NCC(C(C(CO)O)O)O)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)NCC(C(C(CO)O)O)O)[N+](=O)[O-])OC

InChI

InChI=1S/C13H20N2O8/c1-22-11-3-7(8(15(20)21)4-12(11)23-2)14-5-9(17)13(19)10(18)6-16/h3-4,9-10,13-14,16-19H,5-6H2,1-2H3