4-[(Z)-1,2-dicyanoethenyl]-2-iodanyl-6-methoxy-phenolate; phenethylazanium

Systemtic Name: 4-[(Z)-1,2-dicyanoethenyl]-2-iodanyl-6-methoxy-phenolate; phenethylazanium Openeye Name: 4-[(Z)-1,2-dicyanovinyl]-2-iodo-6-methoxy-phenolate; phenethylammonium CAS Name: 4-[(Z)-1,2-dicyanoethenyl]-2-iodo-6-methoxyphenolate; phenethylammonium IUPAC Name: 4-[(Z)-1,2-dicyanoethenyl]-2-iodo-6-methoxyphenolate; phenethylazanium Traditional Name: 4-[(Z)-1,2-dicyanovinyl]-2-iodo-6-methoxy-phenolate; phenethylammonium Formula: C19H18IN3O2 MolecularWeight: 447.26959

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(=CC#N)C#N)I)[O-].C1=CC=C(C=C1)CC[NH3+]

Isomeric SMILES

COC1=C(C(=CC(=C1)/C(=C/C#N)/C#N)I)[O-].C1=CC=C(C=C1)CC[NH3+]

InChI

InChI=1S/C11H7IN2O2.C8H11N/c1-16-10-5-8(4-9(12)11(10)15)7(6-14)2-3-13;9-7-6-8-4-2-1-3-5-8/h2,4-5,15H,1H3;1-5H,6-7,9H2/b7-2+;