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3-[4-(3-chloranyl-4-methyl-phenyl)piperazin-1-yl]carbonyl-8-methoxy-6-nitro-chromen-2-one
SpectraBase Compound ID 3Col6QRRjO5
InChI InChI=1S/C22H20ClN3O6/c1-13-3-4-15(11-18(13)23)24-5-7-25(8-6-24)21(27)17-10-14-9-16(26(29)30)12-19(31-2)20(14)32-22(17)28/h3-4,9-12H,5-8H2,1-2H3
InChIKey ZWVUMROGKKDYCX-UHFFFAOYSA-N
Mol Weight 457.87 g/mol
Molecular Formula C22H20ClN3O6
Exact Mass 457.104063 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ECe2yXwiKhw
Name 3-[4-(3-chloranyl-4-methyl-phenyl)piperazin-1-yl]carbonyl-8-methoxy-6-nitro-chromen-2-one
Alternate Name(s) 3-[4-(3-chloro-4-methyl-phenyl)piperazine-1-carbonyl]-8-methoxy-6-nitro-coumarin 3-[[4-(3-chloro-4-methylphenyl)-1-piperazinyl]-oxomethyl]-8-methoxy-6-nitro-1-benzopyran-2-one 3-[4-(3-chloro-4-methylphenyl)piperazine-1-carbonyl]-8-methoxy-6-nitrochromen-2-one
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Formula C22H20ClN3O6
InChI InChI=1S/C22H20ClN3O6/c1-13-3-4-15(11-18(13)23)24-5-7-25(8-6-24)21(27)17-10-14-9-16(26(29)30)12-19(31-2)20(14)32-22(17)28/h3-4,9-12H,5-8H2,1-2H3
InChIKey ZWVUMROGKKDYCX-UHFFFAOYSA-N
Molecular Weight 457.870 g/mol
SMILES C=1(C(Oc2c(C1)cc(N(=O)=O)cc2OC)=O)C(N1CCN(CC1)c1cc(Cl)c(cc1)C)=O
SPLASH splash10-0kai-2920000000-e130159024eb091a83ab
Wiley ID 1445589