4-[[(4-ethoxy-3-iodanyl-phenyl)methylideneamino]methyl]benzoic acid

Systemtic Name: 4-[[(4-ethoxy-3-iodanyl-phenyl)methylideneamino]methyl]benzoic acid Openeye Name: 4-[[(4-ethoxy-3-iodo-phenyl)methyleneamino]methyl]benzoic acid CAS Name: 4-[[(4-ethoxy-3-iodophenyl)methylideneamino]methyl]benzoic acid IUPAC Name: 4-[[(4-ethoxy-3-iodophenyl)methylideneamino]methyl]benzoic acid Traditional Name: 4-[[(4-ethoxy-3-iodo-benzylidene)amino]methyl]benzoic acid Formula: C17H16INO3 MolecularWeight: 409.21831

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C=NCC2=CC=C(C=C2)C(=O)O)I

Isomeric SMILES

CCOC1=C(C=C(C=C1)C=NCC2=CC=C(C=C2)C(=O)O)I

InChI

InChI=1S/C17H16INO3/c1-2-22-16-8-5-13(9-15(16)18)11-19-10-12-3-6-14(7-4-12)17(20)21/h3-9,11H,2,10H2,1H3,(H,20,21)