methyl 2-[[1-(2-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]methylidene]-3-oxidanylidene-butanoate

Systemtic Name: methyl 2-[[1-(2-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]methylidene]-3-oxidanylidene-butanoate Openeye Name: methyl 2-[[1-(2-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-3-oxo-butanoate CAS Name: 2-[[1-(2-chlorophenyl)-2,5-dimethyl-3-pyrrolyl]methylidene]-3-oxobutanoic acid methyl ester IUPAC Name: methyl 2-[[1-(2-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-3-oxobutanoate Traditional Name: 2-acetyl-3-[1-(2-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]acrylic acid methyl ester Formula: C18H18ClNO3 MolecularWeight: 331.79342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2Cl)C)C=C(C(=O)C)C(=O)OC

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2Cl)C)C=C(C(=O)C)C(=O)OC

InChI

InChI=1S/C18H18ClNO3/c1-11-9-14(10-15(13(3)21)18(22)23-4)12(2)20(11)17-8-6-5-7-16(17)19/h5-10H,1-4H3