6-[2-(2-acetyloxy-5-chloranyl-phenyl)cyclopenten-1-yl]pyrazine-2-carboxylic acid

Systemtic Name: 6-[2-(2-acetyloxy-5-chloranyl-phenyl)cyclopenten-1-yl]pyrazine-2-carboxylic acid Openeye Name: 6-[2-(2-acetoxy-5-chloro-phenyl)cyclopenten-1-yl]pyrazine-2-carboxylic acid CAS Name: 6-[2-(2-acetyloxy-5-chlorophenyl)-1-cyclopentenyl]-2-pyrazinecarboxylic acid IUPAC Name: 6-[2-(2-acetyloxy-5-chlorophenyl)cyclopenten-1-yl]pyrazine-2-carboxylic acid Traditional Name: 6-[2-(2-acetoxy-5-chloro-phenyl)cyclopenten-1-yl]pyrazinoic acid Formula: C18H15ClN2O4 MolecularWeight: 358.7757

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1)Cl)C2=C(CCC2)C3=CN=CC(=N3)C(=O)O

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1)Cl)C2=C(CCC2)C3=CN=CC(=N3)C(=O)O

InChI

InChI=1S/C18H15ClN2O4/c1-10(22)25-17-6-5-11(19)7-14(17)12-3-2-4-13(12)15-8-20-9-16(21-15)18(23)24/h5-9H,2-4H2,1H3,(H,23,24)