[3,5-bis(chloranyl)phenyl] 3-(1-cyano-2-oxidanylidene-3-phenyl-propyl)-5-methoxy-benzoate

Systemtic Name: [3,5-bis(chloranyl)phenyl] 3-(1-cyano-2-oxidanylidene-3-phenyl-propyl)-5-methoxy-benzoate Openeye Name: (3,5-dichlorophenyl) 3-(1-cyano-2-oxo-3-phenyl-propyl)-5-methoxy-benzoate CAS Name: 3-(1-cyano-2-oxo-3-phenylpropyl)-5-methoxybenzoic acid (3,5-dichlorophenyl) ester IUPAC Name: (3,5-dichlorophenyl) 3-(1-cyano-2-oxo-3-phenylpropyl)-5-methoxybenzoate Traditional Name: 3-(1-cyano-2-keto-3-phenyl-propyl)-5-methoxy-benzoic acid (3,5-dichlorophenyl) ester Formula: C24H17Cl2NO4 MolecularWeight: 454.30208

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(C#N)C(=O)CC2=CC=CC=C2)C(=O)OC3=CC(=CC(=C3)Cl)Cl

Isomeric SMILES

COC1=CC(=CC(=C1)C(C#N)C(=O)CC2=CC=CC=C2)C(=O)OC3=CC(=CC(=C3)Cl)Cl

InChI

InChI=1S/C24H17Cl2NO4/c1-30-20-9-16(22(14-27)23(28)7-15-5-3-2-4-6-15)8-17(10-20)24(29)31-21-12-18(25)11-19(26)13-21/h2-6,8-13,22H,7H2,1H3