ethyl 3-[4-(3-fluorophenyl)carbonylpiperazin-1-yl]carbonyl-5-nitro-benzoate

Systemtic Name: ethyl 3-[4-(3-fluorophenyl)carbonylpiperazin-1-yl]carbonyl-5-nitro-benzoate Openeye Name: ethyl 3-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]-5-nitro-benzoate CAS Name: 3-[[4-[(3-fluorophenyl)-oxomethyl]-1-piperazinyl]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]-5-nitrobenzoate Traditional Name: 3-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]-5-nitro-benzoic acid ethyl ester Formula: C21H20FN3O6 MolecularWeight: 429.398403

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)N2CCN(CC2)C(=O)C3=CC(=CC=C3)F)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)N2CCN(CC2)C(=O)C3=CC(=CC=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C21H20FN3O6/c1-2-31-21(28)16-10-15(12-18(13-16)25(29)30)20(27)24-8-6-23(7-9-24)19(26)14-4-3-5-17(22)11-14/h3-5,10-13H,2,6-9H2,1H3