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

Systemtic Name: [4-[[bis(azanyl)methylideneamino]methyl]-2-iodanyl-phenyl]methyl 3-oxidanylpent-4-enoate Openeye Name: [4-(guanidinomethyl)-2-iodo-phenyl]methyl 3-hydroxypent-4-enoate CAS Name: 3-hydroxy-4-pentenoic acid [4-[(diaminomethylideneamino)methyl]-2-iodophenyl]methyl ester IUPAC Name: [4-[(diaminomethylideneamino)methyl]-2-iodophenyl]methyl 3-hydroxypent-4-enoate Traditional Name: 3-hydroxypent-4-enoic acid [4-(guanidinomethyl)-2-iodo-benzyl] ester Formula: C14H18IN3O3 MolecularWeight: 403.21549

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(CC(=O)OCC1=C(C=C(C=C1)CN=C(N)N)I)O

Isomeric SMILES

C=CC(CC(=O)OCC1=C(C=C(C=C1)CN=C(N)N)I)O

InChI

InChI=1S/C14H18IN3O3/c1-2-11(19)6-13(20)21-8-10-4-3-9(5-12(10)15)7-18-14(16)17/h2-5,11,19H,1,6-8H2,(H4,16,17,18)