(1E)-3-Chloro-5-isopropyl-2-methyl-2,5-cyclohexadiene-1,4-dione 1-[O-(4-nitrobenzoyl)oxime]

SpectraBase Compound ID	JRJRXH8BkDE
InChI	InChI=1S/C17H15ClN2O5/c1-9(2)13-8-14(10(3)15(18)16(13)21)19-25-17(22)11-4-6-12(7-5-11)20(23)24/h4-9H,1-3H3/b19-14+
InChIKey	DXUGHTACHPLHAG-XMHGGMMESA-N Google Search
Mol Weight	362.77 g/mol
Molecular Formula	C17H15ClN2O5
Exact Mass	362.066949 g/mol

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SpectraBase Spectrum ID	F6avTepNrFB
Name	(1E)-3-Chloro-5-isopropyl-2-methyl-2,5-cyclohexadiene-1,4-dione 1-[O-(4-nitrobenzoyl)oxime]
Alternate Name(s)	2,5-Cyclohexadiene-1,4-dione, 3-chloro-5-isopropyl-2-methyl-, 1-oxime, o-(4-nitrobenzoyl)- 4-Nitrobenzoic acid [(E)-(3-chloro-2-methyl-4-oxo-5-propan-2-yl-1-cyclohexa-2,5-dienylidene)amino] ester [(E)-(3-chloro-2-methyl-4-oxo-5-propan-2-ylcyclohexa-2,5-dien-1-ylidene)amino] 4-nitrobenzoate [(E)-(3-chloro-5-isopropyl-2-methyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)amino] 4-nitrobenzoate [(E)-(3-chloranyl-2-methyl-4-oxidanylidene-5-propan-2-yl-cyclohexa-2,5-dien-1-ylidene)amino] 4-nitrobenzoate
CAS Registry Number	313480-08-9
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C17H15ClN2O5
InChI	InChI=1S/C17H15ClN2O5/c1-9(2)13-8-14(10(3)15(18)16(13)21)19-25-17(22)11-4-6-12(7-5-11)20(23)24/h4-9H,1-3H3/b19-14+
InChIKey	DXUGHTACHPLHAG-XMHGGMMESA-N
Molecular Weight	362.769 g/mol
SMILES	C1(=C(\C(=N\OC(c2ccc(N(=O)=O)cc2)=O)C=C(C1=O)C(C)C)C)Cl
SPLASH	splash10-0udi-3900000000-28a48fcb76012cf0c00a
Source of Spectrum	AD-0-2532-0
Wiley ID	1426501