methyl 5-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-1-yl]-2-nitro-benzoate

Systemtic Name: methyl 5-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-1-yl]-2-nitro-benzoate Openeye Name: methyl 5-[4-[(2-chloro-6-fluoro-phenyl)methyl]piperazin-1-yl]-2-nitro-benzoate CAS Name: 5-[4-[(2-chloro-6-fluorophenyl)methyl]-1-piperazinyl]-2-nitrobenzoic acid methyl ester IUPAC Name: methyl 5-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-2-nitrobenzoate Traditional Name: 5-[4-(2-chloro-6-fluoro-benzyl)piperazino]-2-nitro-benzoic acid methyl ester Formula: C19H19ClFN3O4 MolecularWeight: 407.823263

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)N2CCN(CC2)CC3=C(C=CC=C3Cl)F)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)N2CCN(CC2)CC3=C(C=CC=C3Cl)F)[N+](=O)[O-]

InChI

InChI=1S/C19H19ClFN3O4/c1-28-19(25)14-11-13(5-6-18(14)24(26)27)23-9-7-22(8-10-23)12-15-16(20)3-2-4-17(15)21/h2-6,11H,7-10,12H2,1H3