(2-bromanyl-4-cyano-6-ethoxy-phenyl) 3-methylbenzoate

Systemtic Name: (2-bromanyl-4-cyano-6-ethoxy-phenyl) 3-methylbenzoate Openeye Name: (2-bromo-4-cyano-6-ethoxy-phenyl) 3-methylbenzoate CAS Name: 3-methylbenzoic acid (2-bromo-4-cyano-6-ethoxyphenyl) ester IUPAC Name: (2-bromo-4-cyano-6-ethoxyphenyl) 3-methylbenzoate Traditional Name: 3-methylbenzoic acid (2-bromo-4-cyano-6-ethoxy-phenyl) ester Formula: C17H14BrNO3 MolecularWeight: 360.20196

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C#N)Br)OC(=O)C2=CC(=CC=C2)C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C#N)Br)OC(=O)C2=CC(=CC=C2)C

InChI

InChI=1S/C17H14BrNO3/c1-3-21-15-9-12(10-19)8-14(18)16(15)22-17(20)13-6-4-5-11(2)7-13/h4-9H,3H2,1-2H3