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

Systemtic Name: 4-[(Z)-1,2-dicyanoethenyl]-2-iodanyl-6-methoxy-phenolate; prop-2-enylazanium Openeye Name: allylammonium; 4-[(Z)-1,2-dicyanovinyl]-2-iodo-6-methoxy-phenolate CAS Name: 4-[(Z)-1,2-dicyanoethenyl]-2-iodo-6-methoxyphenolate; prop-2-enylammonium IUPAC Name: 4-[(Z)-1,2-dicyanoethenyl]-2-iodo-6-methoxyphenolate; prop-2-enylazanium Traditional Name: allylammonium; 4-[(Z)-1,2-dicyanovinyl]-2-iodo-6-methoxy-phenolate Formula: C14H14IN3O2 MolecularWeight: 383.18433

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H7IN2O2.C3H7N/c1-16-10-5-8(4-9(12)11(10)15)7(6-14)2-3-13;1-2-3-4/h2,4-5,15H,1H3;2H,1,3-4H2/b7-2+;