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

Systemtic Name: 3-[(2S)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl]oxybenzenecarbonitrile Openeye Name: 3-[(1S)-2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-methyl-2-oxo-ethoxy]benzonitrile CAS Name: 3-[(2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]oxybenzonitrile IUPAC Name: 3-[(2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]oxybenzonitrile Traditional Name: 3-[(1S)-2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-1-methyl-ethoxy]benzonitrile Formula: C18H18N2O3 MolecularWeight: 310.34712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O3/c1-10-16(12(3)21)11(2)20-17(10)18(22)13(4)23-15-7-5-6-14(8-15)9-19/h5-8,13,20H,1-4H3/t13-/m0/s1