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3-[4-(3,4-dimethylphenyl)piperazin-1-yl]carbonyl-6-nitro-chromen-2-one
SpectraBase Compound ID IQL0AFXG7kY
InChI InChI=1S/C22H21N3O5/c1-14-3-4-17(11-15(14)2)23-7-9-24(10-8-23)21(26)19-13-16-12-18(25(28)29)5-6-20(16)30-22(19)27/h3-6,11-13H,7-10H2,1-2H3
InChIKey VWZBGJXVXKXYPM-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 B0x0ED00bVA
Name 3-[4-(3,4-dimethylphenyl)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/c1-14-3-4-17(11-15(14)2)23-7-9-24(10-8-23)21(26)19-13-16-12-18(25(28)29)5-6-20(16)30-22(19)27/h3-6,11-13H,7-10H2,1-2H3
InChIKey VWZBGJXVXKXYPM-UHFFFAOYSA-N
Molecular Weight 407.426 g/mol
SMILES Cc1ccc(cc1C)N1CCN(CC1)C(C=1C(Oc2c(C1)cc(cc2)N(=O)=O)=O)=O
SPLASH splash10-0bt9-6900000000-11a8df349cc8a729b828
Synonyms 3-[4-(3,4-dimethylphenyl)piperazine-1-carbonyl]-6-nitro-coumarin 3-[[4-(3,4-dimethylphenyl)-1-piperazinyl]-oxomethyl]-6-nitro-1-benzopyran-2-one 3-[4-(3,4-dimethylphenyl)piperazine-1-carbonyl]-6-nitrochromen-2-one
Wiley ID 1445192