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3-[4-(4-ethylphenyl)piperazin-1-yl]carbonyl-6-nitro-chromen-2-one
SpectraBase Compound ID 5RP1ImXv1C
InChI InChI=1S/C22H21N3O5/c1-2-15-3-5-17(6-4-15)23-9-11-24(12-10-23)21(26)19-14-16-13-18(25(28)29)7-8-20(16)30-22(19)27/h3-8,13-14H,2,9-12H2,1H3
InChIKey FTVSFPUCQLHUMH-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 Cb3Hx3OOtJ6
Name 3-[4-(4-ethylphenyl)piperazin-1-yl]carbonyl-6-nitro-chromen-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H21N3O5
InChI InChI=1S/C22H21N3O5/c1-2-15-3-5-17(6-4-15)23-9-11-24(12-10-23)21(26)19-14-16-13-18(25(28)29)7-8-20(16)30-22(19)27/h3-8,13-14H,2,9-12H2,1H3
InChIKey FTVSFPUCQLHUMH-UHFFFAOYSA-N
Molecular Weight 407.426 g/mol
SMILES C1(=Cc2c(OC1=O)ccc(c2)N(=O)=O)C(=O)N1CCN(CC1)c1ccc(CC)cc1
SPLASH splash10-08fr-5900000000-067eecd742d2e121c5fb
Synonyms 3-[4-(4-ethylphenyl)piperazine-1-carbonyl]-6-nitro-chromen-2-one 3-[4-(4-ethylphenyl)piperazine-1-carbonyl]-6-nitro-coumarin 3-[[4-(4-ethylphenyl)-1-piperazinyl]-oxomethyl]-6-nitro-1-benzopyran-2-one
Wiley ID 1512259