methyl (4E)-4-[[1-(3-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]methylidene]-2-methyl-5-oxidanylidene-1-prop-2-enyl-pyrrole-3-carboxylate

Systemtic Name: methyl (4E)-4-[[1-(3-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]methylidene]-2-methyl-5-oxidanylidene-1-prop-2-enyl-pyrrole-3-carboxylate Openeye Name: methyl (4E)-1-allyl-4-[[1-(3-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-2-methyl-5-oxo-pyrrole-3-carboxylate CAS Name: (4E)-4-[[1-(3-chlorophenyl)-2,5-dimethyl-3-pyrrolyl]methylidene]-2-methyl-5-oxo-1-prop-2-enyl-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl (4E)-4-[[1-(3-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2-methyl-5-oxo-1-prop-2-enylpyrrole-3-carboxylate Traditional Name: (4E)-1-allyl-4-[[1-(3-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-5-keto-2-methyl-2-pyrroline-3-carboxylic acid methyl ester Formula: C23H23ClN2O3 MolecularWeight: 410.89332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC(=CC=C2)Cl)C)C=C3C(=C(N(C3=O)CC=C)C)C(=O)OC

Isomeric SMILES

CC1=CC(=C(N1C2=CC(=CC=C2)Cl)C)/C=C/3\C(=C(N(C3=O)CC=C)C)C(=O)OC

InChI

InChI=1S/C23H23ClN2O3/c1-6-10-25-16(4)21(23(28)29-5)20(22(25)27)12-17-11-14(2)26(15(17)3)19-9-7-8-18(24)13-19/h6-9,11-13H,1,10H2,2-5H3/b20-12+