[(2R)-1-[(4-fluoranyl-3-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-ethanoyl-1H-pyrrole-2-carboxylate

Systemtic Name: [(2R)-1-[(4-fluoranyl-3-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-ethanoyl-1H-pyrrole-2-carboxylate Openeye Name: [(1R)-2-(4-fluoro-3-nitro-anilino)-1-methyl-2-oxo-ethyl] 4-acetyl-1H-pyrrole-2-carboxylate CAS Name: 4-acetyl-1H-pyrrole-2-carboxylic acid [(2R)-1-(4-fluoro-3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-fluoro-3-nitroanilino)-1-oxopropan-2-yl] 4-acetyl-1H-pyrrole-2-carboxylate Traditional Name: 4-acetyl-1H-pyrrole-2-carboxylic acid [(1R)-2-(4-fluoro-3-nitro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C16H14FN3O6 MolecularWeight: 363.297263

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)F)[N+](=O)[O-])OC(=O)C2=CC(=CN2)C(=O)C

Isomeric SMILES

C[C@H](C(=O)NC1=CC(=C(C=C1)F)[N+](=O)[O-])OC(=O)C2=CC(=CN2)C(=O)C

InChI

InChI=1S/C16H14FN3O6/c1-8(21)10-5-13(18-7-10)16(23)26-9(2)15(22)19-11-3-4-12(17)14(6-11)20(24)25/h3-7,9,18H,1-2H3,(H,19,22)/t9-/m1/s1