[4-[[bis(azanyl)methylideneamino]methyl]-2-iodanyl-phenyl] 3-oxidanylpent-4-enoate

Systemtic Name: [4-[[bis(azanyl)methylideneamino]methyl]-2-iodanyl-phenyl] 3-oxidanylpent-4-enoate Openeye Name: [4-(guanidinomethyl)-2-iodo-phenyl] 3-hydroxypent-4-enoate CAS Name: 3-hydroxy-4-pentenoic acid [4-[(diaminomethylideneamino)methyl]-2-iodophenyl] ester IUPAC Name: [4-[(diaminomethylideneamino)methyl]-2-iodophenyl] 3-hydroxypent-4-enoate Traditional Name: 3-hydroxypent-4-enoic acid [4-(guanidinomethyl)-2-iodo-phenyl] ester Formula: C13H16IN3O3 MolecularWeight: 389.18891

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(CC(=O)OC1=C(C=C(C=C1)CN=C(N)N)I)O

Isomeric SMILES

C=CC(CC(=O)OC1=C(C=C(C=C1)CN=C(N)N)I)O

InChI

InChI=1S/C13H16IN3O3/c1-2-9(18)6-12(19)20-11-4-3-8(5-10(11)14)7-17-13(15)16/h2-5,9,18H,1,6-7H2,(H4,15,16,17)