2-hydroxyethyl 5-(2,4,5-tricyanophenyl)pentanoate

Systemtic Name: 2-hydroxyethyl 5-(2,4,5-tricyanophenyl)pentanoate Openeye Name: 2-hydroxyethyl 5-(2,4,5-tricyanophenyl)pentanoate CAS Name: 5-(2,4,5-tricyanophenyl)pentanoic acid 2-hydroxyethyl ester IUPAC Name: 2-hydroxyethyl 5-(2,4,5-tricyanophenyl)pentanoate Traditional Name: 5-(2,4,5-tricyanophenyl)valeric acid 2-hydroxyethyl ester Formula: C16H15N3O3 MolecularWeight: 297.3086

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CC(=C1CCCCC(=O)OCCO)C#N)C#N)C#N

Isomeric SMILES

C1=C(C(=CC(=C1CCCCC(=O)OCCO)C#N)C#N)C#N

InChI

InChI=1S/C16H15N3O3/c17-9-13-8-15(11-19)14(10-18)7-12(13)3-1-2-4-16(21)22-6-5-20/h7-8,20H,1-6H2