2-azanyl-4-(3-iodanylphenyl)-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carbonitrile

Systemtic Name: 2-azanyl-4-(3-iodanylphenyl)-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carbonitrile Openeye Name: 2-amino-4-(3-iodophenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile CAS Name: 2-amino-4-(3-iodophenyl)-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-3-carbonitrile IUPAC Name: 2-amino-4-(3-iodophenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile Traditional Name: 2-amino-4-(3-iodophenyl)-5-keto-4,6,7,8-tetrahydrochromene-3-carbonitrile Formula: C16H13IN2O2 MolecularWeight: 392.19109

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(C(=C(O2)N)C#N)C3=CC(=CC=C3)I)C(=O)C1

Isomeric SMILES

C1CC2=C(C(C(=C(O2)N)C#N)C3=CC(=CC=C3)I)C(=O)C1

InChI

InChI=1S/C16H13IN2O2/c17-10-4-1-3-9(7-10)14-11(8-18)16(19)21-13-6-2-5-12(20)15(13)14/h1,3-4,7,14H,2,5-6,19H2