[2-[(5-chloranyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-methyl-4-nitro-pyrrole-2-carboxylate

Systemtic Name: [2-[(5-chloranyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-methyl-4-nitro-pyrrole-2-carboxylate Openeye Name: [2-(5-chloro-2-fluoro-anilino)-2-oxo-ethyl] 1-methyl-4-nitro-pyrrole-2-carboxylate CAS Name: 1-methyl-4-nitro-2-pyrrolecarboxylic acid [2-(5-chloro-2-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 1-methyl-4-nitropyrrole-2-carboxylate Traditional Name: 1-methyl-4-nitro-pyrrole-2-carboxylic acid [2-(5-chloro-2-fluoro-anilino)-2-keto-ethyl] ester Formula: C14H11ClFN3O5 MolecularWeight: 355.705643

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)OCC(=O)NC2=C(C=CC(=C2)Cl)F)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C=C1C(=O)OCC(=O)NC2=C(C=CC(=C2)Cl)F)[N+](=O)[O-]

InChI

InChI=1S/C14H11ClFN3O5/c1-18-6-9(19(22)23)5-12(18)14(21)24-7-13(20)17-11-4-8(15)2-3-10(11)16/h2-6H,7H2,1H3,(H,17,20)