4-[3-[2,3-bis(oxidanyl)phenyl]-2-(methylamino)-3-oxidanylidene-propanoyl]cyclohexane-1-carboximidamide

Systemtic Name: 4-[3-[2,3-bis(oxidanyl)phenyl]-2-(methylamino)-3-oxidanylidene-propanoyl]cyclohexane-1-carboximidamide Openeye Name: 4-[3-(2,3-dihydroxyphenyl)-2-(methylamino)-3-oxo-propanoyl]cyclohexanecarboxamidine CAS Name: 4-[3-(2,3-dihydroxyphenyl)-2-(methylamino)-1,3-dioxopropyl]-1-cyclohexanecarboximidamide IUPAC Name: 4-[3-(2,3-dihydroxyphenyl)-2-(methylamino)-3-oxopropanoyl]cyclohexane-1-carboximidamide Traditional Name: 4-[3-(2,3-dihydroxyphenyl)-3-keto-2-(methylamino)propanoyl]cyclohexanecarboxamidine Formula: C17H23N3O4 MolecularWeight: 333.38222

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Descriptors Computed from Structure

Canonical SMILES:

CNC(C(=O)C1CCC(CC1)C(=N)N)C(=O)C2=C(C(=CC=C2)O)O

Isomeric SMILES

CNC(C(=O)C1CCC(CC1)C(=N)N)C(=O)C2=C(C(=CC=C2)O)O

InChI

InChI=1S/C17H23N3O4/c1-20-13(16(24)11-3-2-4-12(21)15(11)23)14(22)9-5-7-10(8-6-9)17(18)19/h2-4,9-10,13,20-21,23H,5-8H2,1H3,(H3,18,19)