1-(3-chloranyl-4-methyl-phenyl)pyrrole-2-carboxylate

Systemtic Name: 1-(3-chloranyl-4-methyl-phenyl)pyrrole-2-carboxylate Openeye Name: 1-(3-chloro-4-methyl-phenyl)pyrrole-2-carboxylate CAS Name: 1-(3-chloro-4-methylphenyl)-2-pyrrolecarboxylate IUPAC Name: 1-(3-chloro-4-methylphenyl)pyrrole-2-carboxylate Traditional Name: 1-(3-chloro-4-methyl-phenyl)pyrrole-2-carboxylate Formula: C12H9ClNO2- MolecularWeight: 234.65836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C=CC=C2C(=O)[O-])Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C=CC=C2C(=O)[O-])Cl

InChI

InChI=1S/C12H10ClNO2/c1-8-4-5-9(7-10(8)13)14-6-2-3-11(14)12(15)16/h2-7H,1H3,(H,15,16)/p-1