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4-[4-(4-nitrophenyl)-6-oxidanylidene-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyrazol-5-yl]butanoic acid
SpectraBase Compound ID BVOTS1zXWLl
InChI InChI=1S/C21H18N4O5/c26-16(27)7-4-12-24-20(14-8-10-15(11-9-14)25(29)30)17-18(13-5-2-1-3-6-13)22-23-19(17)21(24)28/h1-3,5-6,8-11,20H,4,7,12H2,(H,22,23)(H,26,27)
InChIKey YWDFCBMNVJWABN-UHFFFAOYSA-N
Mol Weight 406.4 g/mol
Molecular Formula C21H18N4O5
Exact Mass 406.12772 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CrwMXGxeVg0
Name 4-[4-(4-nitrophenyl)-6-oxidanylidene-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyrazol-5-yl]butanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18N4O5
InChI InChI=1S/C21H18N4O5/c26-16(27)7-4-12-24-20(14-8-10-15(11-9-14)25(29)30)17-18(13-5-2-1-3-6-13)22-23-19(17)21(24)28/h1-3,5-6,8-11,20H,4,7,12H2,(H,22,23)(H,26,27)
InChIKey YWDFCBMNVJWABN-UHFFFAOYSA-N
Molecular Weight 406.398 g/mol
SMILES OC(CCCN1C(c2c(C1=O)[nH]nc2-c1ccccc1)c1ccc(N(=O)=O)cc1)=O
SPLASH splash10-0ue9-3494000000-57e4b89b09be3c8a57df
Synonyms 4-[4-(4-nitrophenyl)-6-oxo-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyrazol-5-yl]butanoic acid 4-[6-keto-4-(4-nitrophenyl)-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyrazol-5-yl]butyric acid
Wiley ID 1443138