methyl 2-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]carbonyl-4-nitro-benzoate

Systemtic Name: methyl 2-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]carbonyl-4-nitro-benzoate Openeye Name: methyl 2-[4-(4-acetyl-2-fluoro-phenyl)piperazine-1-carbonyl]-4-nitro-benzoate CAS Name: 2-[[4-(4-acetyl-2-fluorophenyl)-1-piperazinyl]-oxomethyl]-4-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[4-(4-acetyl-2-fluorophenyl)piperazine-1-carbonyl]-4-nitrobenzoate Traditional Name: 2-[4-(4-acetyl-2-fluoro-phenyl)piperazine-1-carbonyl]-4-nitro-benzoic acid methyl ester Formula: C21H20FN3O6 MolecularWeight: 429.398403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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