2-[[3-iodanyl-4-(2-oxidanylidenebut-3-enyl)phenyl]methyl]guanidine

Systemtic Name: 2-[[3-iodanyl-4-(2-oxidanylidenebut-3-enyl)phenyl]methyl]guanidine Openeye Name: 2-[[3-iodo-4-(2-oxobut-3-enyl)phenyl]methyl]guanidine CAS Name: 2-[[3-iodo-4-(2-oxobut-3-enyl)phenyl]methyl]guanidine IUPAC Name: 2-[[3-iodo-4-(2-oxobut-3-enyl)phenyl]methyl]guanidine Traditional Name: 2-[3-iodo-4-(2-ketobut-3-enyl)benzyl]guanidine Formula: C12H14IN3O MolecularWeight: 343.16353

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)CC1=C(C=C(C=C1)CN=C(N)N)I

Isomeric SMILES

C=CC(=O)CC1=C(C=C(C=C1)CN=C(N)N)I

InChI

InChI=1S/C12H14IN3O/c1-2-10(17)6-9-4-3-8(5-11(9)13)7-16-12(14)15/h2-5H,1,6-7H2,(H4,14,15,16)