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3-[4-(3-chlorophenyl)piperazin-1-yl]carbonyl-6-nitro-chromen-2-one
SpectraBase Compound ID 9mr6RrW02MM
InChI InChI=1S/C20H16ClN3O5/c21-14-2-1-3-15(12-14)22-6-8-23(9-7-22)19(25)17-11-13-10-16(24(27)28)4-5-18(13)29-20(17)26/h1-5,10-12H,6-9H2
InChIKey GNRCRYRWOVTYNE-UHFFFAOYSA-N
Mol Weight 413.82 g/mol
Molecular Formula C20H16ClN3O5
Exact Mass 413.077848 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FSVarXtSpjB
Name 3-[4-(3-chlorophenyl)piperazin-1-yl]carbonyl-6-nitro-chromen-2-one
Alternate Name(s) 3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-6-nitro-coumarin 3-[[4-(3-chlorophenyl)-1-piperazinyl]-oxomethyl]-6-nitro-1-benzopyran-2-one 3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-6-nitrochromen-2-one
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Formula C20H16ClN3O5
InChI InChI=1S/C20H16ClN3O5/c21-14-2-1-3-15(12-14)22-6-8-23(9-7-22)19(25)17-11-13-10-16(24(27)28)4-5-18(13)29-20(17)26/h1-5,10-12H,6-9H2
InChIKey GNRCRYRWOVTYNE-UHFFFAOYSA-N
Molecular Weight 413.817 g/mol
SMILES C=1(C(Oc2c(C1)cc(N(=O)=O)cc2)=O)C(N1CCN(CC1)c1cc(Cl)ccc1)=O
SPLASH splash10-066r-5900000000-aaacf304812be5896330
Wiley ID 1443625