methyl 3-azanyl-4-[[2,3,5-tris(chloranyl)phenyl]methyl]-1H-pyrrole-2-carboxylate

Systemtic Name: methyl 3-azanyl-4-[[2,3,5-tris(chloranyl)phenyl]methyl]-1H-pyrrole-2-carboxylate Openeye Name: methyl 3-amino-4-[(2,3,5-trichlorophenyl)methyl]-1H-pyrrole-2-carboxylate CAS Name: 3-amino-4-[(2,3,5-trichlorophenyl)methyl]-1H-pyrrole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-amino-4-[(2,3,5-trichlorophenyl)methyl]-1H-pyrrole-2-carboxylate Traditional Name: 3-amino-4-(2,3,5-trichlorobenzyl)-1H-pyrrole-2-carboxylic acid methyl ester Formula: C13H11Cl3N2O2 MolecularWeight: 333.59764

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=CN1)CC2=CC(=CC(=C2Cl)Cl)Cl)N

Isomeric SMILES

COC(=O)C1=C(C(=CN1)CC2=CC(=CC(=C2Cl)Cl)Cl)N

InChI

InChI=1S/C13H11Cl3N2O2/c1-20-13(19)12-11(17)7(5-18-12)2-6-3-8(14)4-9(15)10(6)16/h3-5,18H,2,17H2,1H3