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Propanedinitrile, [amino[6-[(4-nitrophenyl)amino]-2-oxo-4-phenyl-3(2H)-pyridinylidene]m ethyl]-
SpectraBase Compound ID BkjJQhe1I8
InChI InChI=1S/C21H14N6O3/c22-11-14(12-23)20(24)19-17(13-4-2-1-3-5-13)10-18(26-21(19)28)25-15-6-8-16(9-7-15)27(29)30/h1-10,14H,24H2,(H,25,26,28)/b20-19+
InChIKey FLFNYTAZOLSMCB-FMQUCBEESA-N
Mol Weight 398.38 g/mol
Molecular Formula C21H14N6O3
Exact Mass 398.112738 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GHWjHsC4bw4
Name Propanedinitrile, [amino[6-[(4-nitrophenyl)amino]-2-oxo-4-phenyl-3(2H)-pyridinylidene]m ethyl]-
Alternate Name(s) 2-[(E)-amino(6-(4-nitroanilino)-2-oxo-4-phenyl-3(2H)-pyridinylidene)methyl]malononitrile 6-(p-nitroanilino)-2-oxo-3-(.alpha.-amino-.beta.-dicyano)ethylideno-4-phenyl-2,3-dihydropyridine
CAS Registry Number 80392-83-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H14N6O3
InChI InChI=1S/C21H14N6O3/c22-11-14(12-23)20(24)19-17(13-4-2-1-3-5-13)10-18(26-21(19)28)25-15-6-8-16(9-7-15)27(29)30/h1-10,14H,24H2,(H,25,26,28)/b20-19+
InChIKey FLFNYTAZOLSMCB-FMQUCBEESA-N
Molecular Weight 398.382 g/mol
SMILES N(C1=NC(\C(=C\(C(C#N)C#N)N)C(=C1)c1ccccc1)=O)c1ccc(N(=O)=O)cc1
SPLASH splash10-001i-0409000000-f8a7d542b280dd00d4bf
Source of Spectrum AH-112-1193-0
Wiley ID 1368326