[2-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 3,6-bis(chloranyl)pyridine-2-carboxylate

Systemtic Name: [2-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 3,6-bis(chloranyl)pyridine-2-carboxylate Openeye Name: [2-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 3,6-dichloropyridine-2-carboxylate CAS Name: 3,6-dichloro-2-pyridinecarboxylic acid [2-[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate Traditional Name: 3,6-dichloropicolinic acid [2-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C21H18Cl2N2O3 MolecularWeight: 417.28522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)COC(=O)C3=C(C=CC(=N3)Cl)Cl

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)COC(=O)C3=C(C=CC(=N3)Cl)Cl

InChI

InChI=1S/C21H18Cl2N2O3/c1-13-10-16(14(2)25(13)11-15-6-4-3-5-7-15)18(26)12-28-21(27)20-17(22)8-9-19(23)24-20/h3-10H,11-12H2,1-2H3