methyl 5-[4-(4-fluorophenyl)carbonylpiperazin-1-yl]-2-nitro-benzoate

Systemtic Name: methyl 5-[4-(4-fluorophenyl)carbonylpiperazin-1-yl]-2-nitro-benzoate Openeye Name: methyl 5-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-nitro-benzoate CAS Name: 5-[4-[(4-fluorophenyl)-oxomethyl]-1-piperazinyl]-2-nitrobenzoic acid methyl ester IUPAC Name: methyl 5-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-nitrobenzoate Traditional Name: 5-[4-(4-fluorobenzoyl)piperazino]-2-nitro-benzoic acid methyl ester Formula: C19H18FN3O5 MolecularWeight: 387.361723

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18FN3O5/c1-28-19(25)16-12-15(6-7-17(16)23(26)27)21-8-10-22(11-9-21)18(24)13-2-4-14(20)5-3-13/h2-7,12H,8-11H2,1H3