4-[[4,5-bis(chloranyl)-3-cyano-1H-pyrrol-2-yl]methyl]benzoic acid

Systemtic Name: 4-[[4,5-bis(chloranyl)-3-cyano-1H-pyrrol-2-yl]methyl]benzoic acid Openeye Name: 4-[(4,5-dichloro-3-cyano-1H-pyrrol-2-yl)methyl]benzoic acid CAS Name: 4-[(4,5-dichloro-3-cyano-1H-pyrrol-2-yl)methyl]benzoic acid IUPAC Name: 4-[(4,5-dichloro-3-cyano-1H-pyrrol-2-yl)methyl]benzoic acid Traditional Name: 4-[(4,5-dichloro-3-cyano-1H-pyrrol-2-yl)methyl]benzoic acid Formula: C13H8Cl2N2O2 MolecularWeight: 295.12082

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=C(C(=C(N2)Cl)Cl)C#N)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CC2=C(C(=C(N2)Cl)Cl)C#N)C(=O)O

InChI

InChI=1S/C13H8Cl2N2O2/c14-11-9(6-16)10(17-12(11)15)5-7-1-3-8(4-2-7)13(18)19/h1-4,17H,5H2,(H,18,19)