1-(4-azanyl-3-methyl-phenyl)azepane-3,4,5,6-tetrol

Systemtic Name: 1-(4-azanyl-3-methyl-phenyl)azepane-3,4,5,6-tetrol Openeye Name: 1-(4-amino-3-methyl-phenyl)azepane-3,4,5,6-tetrol CAS Name: 1-(4-amino-3-methylphenyl)azepane-3,4,5,6-tetrol IUPAC Name: 1-(4-amino-3-methylphenyl)azepane-3,4,5,6-tetrol Traditional Name: 1-(4-amino-3-methyl-phenyl)azepane-3,4,5,6-tetrol Formula: C13H20N2O4 MolecularWeight: 268.3089

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CC(C(C(C(C2)O)O)O)O)N

Isomeric SMILES

CC1=C(C=CC(=C1)N2CC(C(C(C(C2)O)O)O)O)N

InChI

InChI=1S/C13H20N2O4/c1-7-4-8(2-3-9(7)14)15-5-10(16)12(18)13(19)11(17)6-15/h2-4,10-13,16-19H,5-6,14H2,1H3