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

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 4-cyanobenzoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C14H11N3O3 MolecularWeight: 269.25544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11N3O3/c1-9(17)12(7-16)13(18)8-20-14(19)11-4-2-10(6-15)3-5-11/h2-5,12,17H,8H2,1H3