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2H-1-benzopyran-2-one, 3-[[4-(2,5-dimethylphenyl)-1-piperazinyl]carbonyl]-6-nitro-
SpectraBase Compound ID D45bkKnwEX7
InChI InChI=1S/C22H21N3O5/c1-14-3-4-15(2)19(11-14)23-7-9-24(10-8-23)21(26)18-13-16-12-17(25(28)29)5-6-20(16)30-22(18)27/h3-6,11-13H,7-10H2,1-2H3
InChIKey JRSFANMSJSLQKA-UHFFFAOYSA-N
Mol Weight 407.43 g/mol
Molecular Formula C22H21N3O5
Exact Mass 407.148121 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FKN7Xvf4Hr8
Name 3-[4-(2,5-dimethylphenyl)piperazin-1-yl]carbonyl-6-nitro-chromen-2-one
Alternate Name(s) 3-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-6-nitro-coumarin 3-[[4-(2,5-dimethylphenyl)-1-piperazinyl]-oxomethyl]-6-nitro-1-benzopyran-2-one 3-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-6-nitrochromen-2-one
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Formula C22H21N3O5
InChI InChI=1S/C22H21N3O5/c1-14-3-4-15(2)19(11-14)23-7-9-24(10-8-23)21(26)18-13-16-12-17(25(28)29)5-6-20(16)30-22(18)27/h3-6,11-13H,7-10H2,1-2H3
InChIKey JRSFANMSJSLQKA-UHFFFAOYSA-N
Molecular Weight 407.426 g/mol
SMILES C=1(C(Oc2c(C1)cc(N(=O)=O)cc2)=O)C(N1CCN(CC1)c1c(ccc(c1)C)C)=O
SPLASH splash10-03di-4900000000-2caafce9c79a2c26ac2c
Wiley ID 1443401