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2-Quinolinecarboxylic acid, 1,4-dihydro-6-nitro-3-[(4-nitrophenyl)amino]-4-oxo-, methyl ester
SpectraBase Compound ID AOmiilX0erk
InChI InChI=1S/C17H12N4O7/c1-28-17(23)15-14(18-9-2-4-10(5-3-9)20(24)25)16(22)12-8-11(21(26)27)6-7-13(12)19-15/h2-8,18H,1H3,(H,19,22)
InChIKey VTUAYOLJJYHQJU-UHFFFAOYSA-N
Mol Weight 384.3 g/mol
Molecular Formula C17H12N4O7
Exact Mass 384.070599 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KOuFzn8AM4J
Name 2-Quinolinecarboxylic acid, 1,4-dihydro-6-nitro-3-[(4-nitrophenyl)amino]-4-oxo-, methyl ester
Alternate Name(s) 2-(methoxycarbonyl)-3-(p-nitro-anilino)-6-nitro-4-quinolone Methyl 6-nitro-3-(4-nitroanilino)-4-oxo-1,4-dihydro-2-quinolinecarboxylate
CAS Registry Number 121616-41-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H12N4O7
InChI InChI=1S/C17H12N4O7/c1-28-17(23)15-14(18-9-2-4-10(5-3-9)20(24)25)16(22)12-8-11(21(26)27)6-7-13(12)19-15/h2-8,18H,1H3,(H,19,22)
InChIKey VTUAYOLJJYHQJU-UHFFFAOYSA-N
Molecular Weight 384.304 g/mol
SMILES N1c2c(C(C(=C1C(=O)OC)Nc1ccc(N(=O)=O)cc1)=O)cc(cc2)N(=O)=O
SPLASH splash10-001i-0049000000-9989b09adbf5f7bba17b
Source of Spectrum J-55-4655-5
Wiley ID 1361318