2-azanylguanidine; 2-methyl-3-[4-(1-oxidanyl-1-oxidanylidene-propan-2-yl)phenyl]propanoic acid

Systemtic Name: 2-azanylguanidine; 2-methyl-3-[4-(1-oxidanyl-1-oxidanylidene-propan-2-yl)phenyl]propanoic acid Openeye Name: 2-aminoguanidine; 3-[4-(2-hydroxy-1-methyl-2-oxo-ethyl)phenyl]-2-methyl-propanoic acid CAS Name: 2-aminoguanidine; 3-[4-(1-hydroxy-1-oxopropan-2-yl)phenyl]-2-methylpropanoic acid IUPAC Name: 2-aminoguanidine; 3-[4-(1-hydroxy-1-oxopropan-2-yl)phenyl]-2-methylpropanoic acid Traditional Name: 2-aminoguanidine; 3-[4-(2-hydroxy-2-keto-1-methyl-ethyl)phenyl]-2-methyl-propionic acid Formula: C14H22N4O4 MolecularWeight: 310.34888

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)C(C)C(=O)O)C(=O)O.C(=NN)(N)N

Isomeric SMILES

CC(CC1=CC=C(C=C1)C(C)C(=O)O)C(=O)O.C(=NN)(N)N

InChI

InChI=1S/C13H16O4.CH6N4/c1-8(12(14)15)7-10-3-5-11(6-4-10)9(2)13(16)17;2-1(3)5-4/h3-6,8-9H,7H2,1-2H3,(H,14,15)(H,16,17);4H2,(H4,2,3,5)