(2-chloranyl-6-fluoranyl-phenyl)methyl 1-methyl-4-nitro-pyrrole-2-carboxylate

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl 1-methyl-4-nitro-pyrrole-2-carboxylate Openeye Name: (2-chloro-6-fluoro-phenyl)methyl 1-methyl-4-nitro-pyrrole-2-carboxylate CAS Name: 1-methyl-4-nitro-2-pyrrolecarboxylic acid (2-chloro-6-fluorophenyl)methyl ester IUPAC Name: (2-chloro-6-fluorophenyl)methyl 1-methyl-4-nitropyrrole-2-carboxylate Traditional Name: 1-methyl-4-nitro-pyrrole-2-carboxylic acid (2-chloro-6-fluoro-benzyl) ester Formula: C13H10ClFN2O4 MolecularWeight: 312.680903

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)OCC2=C(C=CC=C2Cl)F)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C=C1C(=O)OCC2=C(C=CC=C2Cl)F)[N+](=O)[O-]

InChI

InChI=1S/C13H10ClFN2O4/c1-16-6-8(17(19)20)5-12(16)13(18)21-7-9-10(14)3-2-4-11(9)15/h2-6H,7H2,1H3