methyl 2-[4-[3,4-bis(fluoranyl)phenyl]carbonylpiperazin-1-yl]-5-nitro-benzoate

Systemtic Name: methyl 2-[4-[3,4-bis(fluoranyl)phenyl]carbonylpiperazin-1-yl]-5-nitro-benzoate Openeye Name: methyl 2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-5-nitro-benzoate CAS Name: 2-[4-[(3,4-difluorophenyl)-oxomethyl]-1-piperazinyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-5-nitrobenzoate Traditional Name: 2-[4-(3,4-difluorobenzoyl)piperazino]-5-nitro-benzoic acid methyl ester Formula: C19H17F2N3O5 MolecularWeight: 405.352186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17F2N3O5/c1-29-19(26)14-11-13(24(27)28)3-5-17(14)22-6-8-23(9-7-22)18(25)12-2-4-15(20)16(21)10-12/h2-5,10-11H,6-9H2,1H3