4-[[[4,5-bis(chloranyl)-1H-pyrrol-2-yl]carbonylamino]methyl]benzoate

Systemtic Name: 4-[[[4,5-bis(chloranyl)-1H-pyrrol-2-yl]carbonylamino]methyl]benzoate Openeye Name: 4-[[(4,5-dichloro-1H-pyrrole-2-carbonyl)amino]methyl]benzoate CAS Name: 4-[[[(4,5-dichloro-1H-pyrrol-2-yl)-oxomethyl]amino]methyl]benzoate IUPAC Name: 4-[[(4,5-dichloro-1H-pyrrole-2-carbonyl)amino]methyl]benzoate Traditional Name: 4-[[(4,5-dichloro-1H-pyrrole-2-carbonyl)amino]methyl]benzoate Formula: C13H9Cl2N2O3- MolecularWeight: 312.12816

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)C2=CC(=C(N2)Cl)Cl)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)C2=CC(=C(N2)Cl)Cl)C(=O)[O-]

InChI

InChI=1S/C13H10Cl2N2O3/c14-9-5-10(17-11(9)15)12(18)16-6-7-1-3-8(4-2-7)13(19)20/h1-5,17H,6H2,(H,16,18)(H,19,20)/p-1