N1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-3-nitro-benzene-1,2-dicarboxamide

Systemtic Name: N1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-3-nitro-benzene-1,2-dicarboxamide Openeye Name: N1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxo-ethyl]-3-nitro-phthalamide CAS Name: N1-[2-[4-(2-fluorophenyl)-1-piperazinyl]-2-oxoethyl]-3-nitrobenzene-1,2-dicarboxamide IUPAC Name: 1-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-3-nitrobenzene-1,2-dicarboxamide Traditional Name: N-[2-[4-(2-fluorophenyl)piperazino]-2-keto-ethyl]-3-nitro-phthalamide Formula: C20H20FN5O5 MolecularWeight: 429.401703

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2F)C(=O)CNC(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C(=O)N

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2F)C(=O)CNC(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C(=O)N

InChI

InChI=1S/C20H20FN5O5/c21-14-5-1-2-6-15(14)24-8-10-25(11-9-24)17(27)12-23-20(29)13-4-3-7-16(26(30)31)18(13)19(22)28/h1-7H,8-12H2,(H2,22,28)(H,23,29)