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

Systemtic Name: [1-[1-(4-fluorophenyl)ethylamino]-1-oxidanylidene-propan-2-yl] 1-methyl-4-nitro-pyrrole-2-carboxylate Openeye Name: [2-[1-(4-fluorophenyl)ethylamino]-1-methyl-2-oxo-ethyl] 1-methyl-4-nitro-pyrrole-2-carboxylate CAS Name: 1-methyl-4-nitro-2-pyrrolecarboxylic acid [1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 1-methyl-4-nitropyrrole-2-carboxylate Traditional Name: 1-methyl-4-nitro-pyrrole-2-carboxylic acid [2-[1-(4-fluorophenyl)ethylamino]-2-keto-1-methyl-ethyl] ester Formula: C17H18FN3O5 MolecularWeight: 363.340323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18FN3O5/c1-10(12-4-6-13(18)7-5-12)19-16(22)11(2)26-17(23)15-8-14(21(24)25)9-20(15)3/h4-11H,1-3H3,(H,19,22)