3-chloranyl-4-[(2S)-1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl]oxy-benzenecarbonitrile

Systemtic Name: 3-chloranyl-4-[(2S)-1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl]oxy-benzenecarbonitrile Openeye Name: 3-chloro-4-[(1S)-2-(4-ethylphenyl)-1-methyl-2-oxo-ethoxy]benzonitrile CAS Name: 3-chloro-4-[(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl]oxybenzonitrile IUPAC Name: 3-chloro-4-[(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl]oxybenzonitrile Traditional Name: 3-chloro-4-[(1S)-2-(4-ethylphenyl)-2-keto-1-methyl-ethoxy]benzonitrile Formula: C18H16ClNO2 MolecularWeight: 313.77814

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(C)OC2=C(C=C(C=C2)C#N)Cl

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)[C@H](C)OC2=C(C=C(C=C2)C#N)Cl

InChI

InChI=1S/C18H16ClNO2/c1-3-13-4-7-15(8-5-13)18(21)12(2)22-17-9-6-14(11-20)10-16(17)19/h4-10,12H,3H2,1-2H3/t12-/m0/s1