(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 3-iodanylbenzoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 3-iodanylbenzoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 3-iodobenzoate CAS Name: 3-iodobenzoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 3-iodobenzoate Traditional Name: 3-iodobenzoic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C13H11IN2O3 MolecularWeight: 370.14251

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)C1=CC(=CC=C1)I

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)C1=CC(=CC=C1)I

InChI

InChI=1S/C13H11IN2O3/c1-8(16)11(6-15)12(17)7-19-13(18)9-3-2-4-10(14)5-9/h2-5,11,16H,7H2,1H3