2-(2-hydroxyethylamino)-4-[(3-iodanyl-4,5-dimethoxy-phenyl)amino]benzenecarbonitrile

Systemtic Name: 2-(2-hydroxyethylamino)-4-[(3-iodanyl-4,5-dimethoxy-phenyl)amino]benzenecarbonitrile Openeye Name: 2-(2-hydroxyethylamino)-4-(3-iodo-4,5-dimethoxy-anilino)benzonitrile CAS Name: 2-(2-hydroxyethylamino)-4-(3-iodo-4,5-dimethoxyanilino)benzonitrile IUPAC Name: 2-(2-hydroxyethylamino)-4-(3-iodo-4,5-dimethoxyanilino)benzonitrile Traditional Name: 2-(2-hydroxyethylamino)-4-(3-iodo-4,5-dimethoxy-anilino)benzonitrile Formula: C17H18IN3O3 MolecularWeight: 439.24759

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)NC2=CC(=C(C=C2)C#N)NCCO)I)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)NC2=CC(=C(C=C2)C#N)NCCO)I)OC

InChI

InChI=1S/C17H18IN3O3/c1-23-16-9-13(7-14(18)17(16)24-2)21-12-4-3-11(10-19)15(8-12)20-5-6-22/h3-4,7-9,20-22H,5-6H2,1-2H3