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1H-Pyrazole-1-acetic acid, 3,5-dimethyl-4-[(3-nitrobenzoyl)amino]-, ethyl ester
SpectraBase Compound ID GfdXKV5ICBV
InChI InChI=1S/C16H18N4O5/c1-4-25-14(21)9-19-11(3)15(10(2)18-19)17-16(22)12-6-5-7-13(8-12)20(23)24/h5-8H,4,9H2,1-3H3,(H,17,22)
InChIKey IADCZEOVESOQDG-UHFFFAOYSA-N
Mol Weight 346.34 g/mol
Molecular Formula C16H18N4O5
Exact Mass 346.12772 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4DEBPCSfgtV
Name 1H-Pyrazole-1-acetic acid, 3,5-dimethyl-4-[(3-nitrobenzoyl)amino]-, ethyl ester
Alternate Name(s) 2-[3,5-dimethyl-4-[[(3-nitrophenyl)-oxomethyl]amino]-1-pyrazolyl]acetic acid ethyl ester Ethyl 2-[3,5-dimethyl-4-[(3-nitrobenzoyl)amino]pyrazol-1-yl]acetate Ethyl 2-[3,5-dimethyl-4-[(3-nitrophenyl)carbonylamino]pyrazol-1-yl]ethanoate
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Formula C16H18N4O5
InChI InChI=1S/C16H18N4O5/c1-4-25-14(21)9-19-11(3)15(10(2)18-19)17-16(22)12-6-5-7-13(8-12)20(23)24/h5-8H,4,9H2,1-3H3,(H,17,22)
InChIKey IADCZEOVESOQDG-UHFFFAOYSA-N
Molecular Weight 346.343 g/mol
SMILES N(c1c([n](nc1C)CC(=O)OCC)C)C(c1cc(N(=O)=O)ccc1)=O
SPLASH splash10-0f6t-6922000000-f607b81d77386bcd59dd
Source of Spectrum IY-1-4465-1
Wiley ID 1652634