methyl 2-chloranyl-5-(1-cyano-2-oxidanylidene-3-phenyl-propyl)benzoate

Systemtic Name: methyl 2-chloranyl-5-(1-cyano-2-oxidanylidene-3-phenyl-propyl)benzoate Openeye Name: methyl 2-chloro-5-(1-cyano-2-oxo-3-phenyl-propyl)benzoate CAS Name: 2-chloro-5-(1-cyano-2-oxo-3-phenylpropyl)benzoic acid methyl ester IUPAC Name: methyl 2-chloro-5-(1-cyano-2-oxo-3-phenylpropyl)benzoate Traditional Name: 2-chloro-5-(1-cyano-2-keto-3-phenyl-propyl)benzoic acid methyl ester Formula: C18H14ClNO3 MolecularWeight: 327.76166

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)C(C#N)C(=O)CC2=CC=CC=C2)Cl

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)C(C#N)C(=O)CC2=CC=CC=C2)Cl

InChI

InChI=1S/C18H14ClNO3/c1-23-18(22)14-10-13(7-8-16(14)19)15(11-20)17(21)9-12-5-3-2-4-6-12/h2-8,10,15H,9H2,1H3