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CHEBI:116430 - 2-amino-4-(4,5-dimethoxy-2-nitrophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-3-carbonitrile

ChEBI IDCHEBI:116430
ChEBI Name2-amino-4-(4,5-dimethoxy-2-nitrophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-3-carbonitrile
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FormulaC20H21N3O6
Net Charge0
Average Mass399.403
Monoisotopic Mass399.14304
SMILESCOc1cc(C2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C20H21N3O6/c1-20(2)7-13(24)18-16(8-20)29-19(22)11(9-21)17(18)10-5-14(27-3)15(28-4)6-12(10)23(25)26/h5-6,17H,7-8,22H2,1-4H3
InChIKeyKFYXKYQYEBICFR-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-amino-4-(4,5-dimethoxy-2-nitrophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-3-carbonitrile (CHEBI:116430) is a C-nitro compound (CHEBI:35716)
2-amino-4-(4,5-dimethoxy-2-nitrophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-3-carbonitrile (CHEBI:116430) is a aromatic ether (CHEBI:35618)
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