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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCN(CC2)C(=O)C3=CC=CC=C3F

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCN(CC2)C(=O)C3=CC=CC=C3F

InChI

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