(2,3-dicyano-4-heptoxy-phenyl) 2-chloranylbenzoate

Systemtic Name: (2,3-dicyano-4-heptoxy-phenyl) 2-chloranylbenzoate Openeye Name: (2,3-dicyano-4-heptoxy-phenyl) 2-chlorobenzoate CAS Name: 2-chlorobenzoic acid (2,3-dicyano-4-heptoxyphenyl) ester IUPAC Name: (2,3-dicyano-4-heptoxyphenyl) 2-chlorobenzoate Traditional Name: 2-chlorobenzoic acid (2,3-dicyano-4-heptoxy-phenyl) ester Formula: C22H21ClN2O3 MolecularWeight: 396.86674

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=C(C(=C(C=C1)OC(=O)C2=CC=CC=C2Cl)C#N)C#N

Isomeric SMILES

CCCCCCCOC1=C(C(=C(C=C1)OC(=O)C2=CC=CC=C2Cl)C#N)C#N

InChI

InChI=1S/C22H21ClN2O3/c1-2-3-4-5-8-13-27-20-11-12-21(18(15-25)17(20)14-24)28-22(26)16-9-6-7-10-19(16)23/h6-7,9-12H,2-5,8,13H2,1H3