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3-(4-Benzyl-piperazine-1-carbonyl)-6-nitro-chromen-2-one
SpectraBase Compound ID JikgrSJvekk
InChI InChI=1S/C21H19N3O5/c25-20(23-10-8-22(9-11-23)14-15-4-2-1-3-5-15)18-13-16-12-17(24(27)28)6-7-19(16)29-21(18)26/h1-7,12-13H,8-11,14H2
InChIKey QMJLJUUXPDNSKB-UHFFFAOYSA-N
Mol Weight 393.4 g/mol
Molecular Formula C21H19N3O5
Exact Mass 393.132471 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7MO1bCHCpWZ
Name 3-(4-Benzyl-piperazine-1-carbonyl)-6-nitro-chromen-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H19N3O5
InChI InChI=1S/C21H19N3O5/c25-20(23-10-8-22(9-11-23)14-15-4-2-1-3-5-15)18-13-16-12-17(24(27)28)6-7-19(16)29-21(18)26/h1-7,12-13H,8-11,14H2
InChIKey QMJLJUUXPDNSKB-UHFFFAOYSA-N
Molecular Weight 393.399 g/mol
SMILES C=1(C(Oc2ccc(N(=O)=O)cc2C1)=O)C(N1CCN(CC1)Cc1ccccc1)=O
SPLASH splash10-0006-9810000000-1035be9a39b37a065d63
Synonyms 3-(4-benzylpiperazine-1-carbonyl)-6-nitro-coumarin 6-Nitro-3-[4-(phenylmethyl)piperazin-1-yl]carbonyl-chromen-2-one 6-Nitro-3-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]-1-benzopyran-2-one 3-(4-benzylpiperazine-1-carbonyl)-6-nitrochromen-2-one
Wiley ID 1444478