ethyl 4-(4-fluoranyl-2-nitro-5-pyrrolidin-1-yl-phenyl)piperazine-1-carboxylate

Systemtic Name: ethyl 4-(4-fluoranyl-2-nitro-5-pyrrolidin-1-yl-phenyl)piperazine-1-carboxylate Openeye Name: ethyl 4-(4-fluoro-2-nitro-5-pyrrolidin-1-yl-phenyl)piperazine-1-carboxylate CAS Name: 4-[4-fluoro-2-nitro-5-(1-pyrrolidinyl)phenyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-fluoro-2-nitro-5-pyrrolidin-1-ylphenyl)piperazine-1-carboxylate Traditional Name: 4-(4-fluoro-2-nitro-5-pyrrolidino-phenyl)piperazine-1-carboxylic acid ethyl ester Formula: C17H23FN4O4 MolecularWeight: 366.387323

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=CC(=C(C=C2[N+](=O)[O-])F)N3CCCC3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=CC(=C(C=C2[N+](=O)[O-])F)N3CCCC3

InChI

InChI=1S/C17H23FN4O4/c1-2-26-17(23)21-9-7-20(8-10-21)15-12-14(19-5-3-4-6-19)13(18)11-16(15)22(24)25/h11-12H,2-10H2,1H3