7-ethyl-4-[[(3-iodanylphenyl)amino]methyl]chromen-2-one

Systemtic Name: 7-ethyl-4-[[(3-iodanylphenyl)amino]methyl]chromen-2-one Openeye Name: 7-ethyl-4-[(3-iodoanilino)methyl]chromen-2-one CAS Name: 7-ethyl-4-[(3-iodoanilino)methyl]-1-benzopyran-2-one IUPAC Name: 7-ethyl-4-[(3-iodoanilino)methyl]chromen-2-one Traditional Name: 7-ethyl-4-[(3-iodoanilino)methyl]coumarin Formula: C18H16INO2 MolecularWeight: 405.22961

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CNC3=CC(=CC=C3)I

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CNC3=CC(=CC=C3)I

InChI

InChI=1S/C18H16INO2/c1-2-12-6-7-16-13(9-18(21)22-17(16)8-12)11-20-15-5-3-4-14(19)10-15/h3-10,20H,2,11H2,1H3