[2-oxidanylidene-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 4-chloranyl-2-oxidanyl-benzoate

Systemtic Name: [2-oxidanylidene-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 4-chloranyl-2-oxidanyl-benzoate Openeye Name: [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 4-chloro-2-hydroxy-benzoate CAS Name: 4-chloro-2-hydroxybenzoic acid [2-oxo-2-(1,2,5-trimethyl-3-pyrrolyl)ethyl] ester IUPAC Name: [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 4-chloro-2-hydroxybenzoate Traditional Name: 4-chloro-2-hydroxy-benzoic acid [2-keto-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] ester Formula: C16H16ClNO4 MolecularWeight: 321.75554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C)C)C(=O)COC(=O)C2=C(C=C(C=C2)Cl)O

Isomeric SMILES

CC1=CC(=C(N1C)C)C(=O)COC(=O)C2=C(C=C(C=C2)Cl)O

InChI

InChI=1S/C16H16ClNO4/c1-9-6-13(10(2)18(9)3)15(20)8-22-16(21)12-5-4-11(17)7-14(12)19/h4-7,19H,8H2,1-3H3