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1,6-Diamino-4-(4-chlorophenyl)-5-cyano-2-keto-nicotinic acid ethyl ester
SpectraBase Compound ID 3HdvMWBZL2L
InChI InChI=1S/C15H13ClN4O3/c1-2-23-15(22)12-11(8-3-5-9(16)6-4-8)10(7-17)13(18)20(19)14(12)21/h3-6H,2,18-19H2,1H3
InChIKey XMFAPPDFAPQFHD-UHFFFAOYSA-N
Mol Weight 332.75 g/mol
Molecular Formula C15H13ClN4O3
Exact Mass 332.067618 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IOLgeZmMoao
Name 1,6-Diamino-4-(4-chlorophenyl)-5-cyano-2-keto-nicotinic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H13ClN4O3
InChI InChI=1S/C15H13ClN4O3/c1-2-23-15(22)12-11(8-3-5-9(16)6-4-8)10(7-17)13(18)20(19)14(12)21/h3-6H,2,18-19H2,1H3
InChIKey XMFAPPDFAPQFHD-UHFFFAOYSA-N
Molecular Weight 332.747 g/mol
SMILES NN1C(C(=C(C(=C1N)C#N)c1ccc(cc1)Cl)C(=O)OCC)=O
SPLASH splash10-0006-0935000000-ffe924350bd0c7997c4c
Source of Spectrum SK-28-3340-5
Synonyms 1,6-Diamino-4-(4-chlorophenyl)-5-cyano-2-oxo-3-pyridinecarboxylic acid ethyl ester Ethyl 1,6-bis(azanyl)-4-(4-chlorophenyl)-5-cyano-2-oxidanylidene-pyridine-3-carboxylate Ethyl 1,6-diamino-4-(4-chlorophenyl)-5-cyano-2-oxo-pyridine-3-carboxylate
Wiley ID 868585