[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 2-(methylamino)-5-nitro-benzoate

Systemtic Name: [2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 2-(methylamino)-5-nitro-benzoate Openeye Name: [2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxo-ethyl] 2-(methylamino)-5-nitro-benzoate CAS Name: 2-(methylamino)-5-nitrobenzoic acid [2-[4-(2-fluorophenyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2-(methylamino)-5-nitrobenzoate Traditional Name: 2-(methylamino)-5-nitro-benzoic acid [2-[4-(2-fluorophenyl)piperazino]-2-keto-ethyl] ester Formula: C20H21FN4O5 MolecularWeight: 416.402943

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC(=O)N2CCN(CC2)C3=CC=CC=C3F

Isomeric SMILES

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC(=O)N2CCN(CC2)C3=CC=CC=C3F

InChI

InChI=1S/C20H21FN4O5/c1-22-17-7-6-14(25(28)29)12-15(17)20(27)30-13-19(26)24-10-8-23(9-11-24)18-5-3-2-4-16(18)21/h2-7,12,22H,8-11,13H2,1H3