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3-(Isopropyl[(6-nitro-2-oxo-1,3-benzoxazol-3(2H)-yl)methyl]amino)propanenitrile
SpectraBase Compound ID 2F3iQ63zopV
InChI InChI=1S/C14H16N4O4/c1-10(2)16(7-3-6-15)9-17-12-5-4-11(18(20)21)8-13(12)22-14(17)19/h4-5,8,10H,3,7,9H2,1-2H3
InChIKey YYSVXOUFHYNPGW-UHFFFAOYSA-N
Mol Weight 304.31 g/mol
Molecular Formula C14H16N4O4
Exact Mass 304.117155 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1KmyEtqZfc7
Name 3-(Isopropyl[(6-nitro-2-oxo-1,3-benzoxazol-3(2H)-yl)methyl]amino)propanenitrile
Alternate Name(s) 3-[(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)methyl-propan-2-yl-amino]propanenitrile 3-[(6-nitro-2-oxo-1,3-benzoxazol-3-yl)methyl-propan-2-ylamino]propanenitrile 3-[isopropyl-[(2-keto-6-nitro-1,3-benzoxazol-3-yl)methyl]amino]propionitrile 3-[isopropyl-[(6-nitro-2-oxo-1,3-benzoxazol-3-yl)methyl]amino]propanenitrile Propanonitrile, 3-(2,3-dihydro-6-nitro-2-oxo-1,3-benzoxazol-3-ylmethyl)(isopropyl)amino-
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Formula C14H16N4O4
InChI InChI=1S/C14H16N4O4/c1-10(2)16(7-3-6-15)9-17-12-5-4-11(18(20)21)8-13(12)22-14(17)19/h4-5,8,10H,3,7,9H2,1-2H3
InChIKey YYSVXOUFHYNPGW-UHFFFAOYSA-N
Molecular Weight 304.306 g/mol
SMILES CC(N(CN1C(Oc2c1ccc(N(=O)=O)c2)=O)CCC#N)C
SPLASH splash10-0059-9700000000-026ee384e7c484a0e3e4
Wiley ID 1439443