3-chloranyl-4-[(2S)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl]oxy-benzenecarbonitrile

Systemtic Name: 3-chloranyl-4-[(2S)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl]oxy-benzenecarbonitrile Openeye Name: 4-[(1S)-2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-methyl-2-oxo-ethoxy]-3-chloro-benzonitrile CAS Name: 4-[(2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]oxy-3-chlorobenzonitrile IUPAC Name: 4-[(2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]oxy-3-chlorobenzonitrile Traditional Name: 4-[(1S)-2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-1-methyl-ethoxy]-3-chloro-benzonitrile Formula: C18H17ClN2O3 MolecularWeight: 344.79218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)C(C)OC2=C(C=C(C=C2)C#N)Cl

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)[C@H](C)OC2=C(C=C(C=C2)C#N)Cl

InChI

InChI=1S/C18H17ClN2O3/c1-9-16(11(3)22)10(2)21-17(9)18(23)12(4)24-15-6-5-13(8-20)7-14(15)19/h5-7,12,21H,1-4H3/t12-/m0/s1