[1-[(4-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] 1-methyl-4-nitro-pyrrole-2-carboxylate

Systemtic Name: [1-[(4-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] 1-methyl-4-nitro-pyrrole-2-carboxylate Openeye Name: [2-(4-fluoroanilino)-1-methyl-2-oxo-ethyl] 1-methyl-4-nitro-pyrrole-2-carboxylate CAS Name: 1-methyl-4-nitro-2-pyrrolecarboxylic acid [1-(4-fluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-fluoroanilino)-1-oxopropan-2-yl] 1-methyl-4-nitropyrrole-2-carboxylate Traditional Name: 1-methyl-4-nitro-pyrrole-2-carboxylic acid [2-(4-fluoroanilino)-2-keto-1-methyl-ethyl] ester Formula: C15H14FN3O5 MolecularWeight: 335.287163

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)F)OC(=O)C2=CC(=CN2C)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)F)OC(=O)C2=CC(=CN2C)[N+](=O)[O-]

InChI

InChI=1S/C15H14FN3O5/c1-9(14(20)17-11-5-3-10(16)4-6-11)24-15(21)13-7-12(19(22)23)8-18(13)2/h3-9H,1-2H3,(H,17,20)