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Reference substances

Reference substances

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General information

Inventory

EC number:
278-388-8
EC name:
2-cyano-2-[2,3-dihydro-3-(tetrahydro-2,4,6-trioxo-5(2H)-pyrimidinylidene)-1H-isoindol-1-ylidene]-N-methylacetamide
CAS number:
76199-85-4

No inventory information available

Reference substance information

IUPAC name:
2-cyano-N-methyl-2-[(1E)-3-(2,4,6-trioxo-1,3-diazinan-5-ylidene)-2,3-dihydro-1H-isoindol-1-ylidene]acetamide
Synonyms
Names:
Acetamide, 2-cyano-2-[2,3-dihydro-3-(tetrahydro-2,4,6-trioxo-5(2H)-pyrimidinylidene)-1H-isoindol-1-ylidene]-N-methyl-
Identifier:
CAS number
76199-85-4
Identifier:
IUPAC name
2-cyano-N-methyl-2-[3-(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)-2,3-dihydro-1Hisoindol-1-ylidene]acetamide
Identifier:
other: SMILES notation
C1=C\2C(=CC=C1)C(NC2=C(\C(=O)NC)C#N)=C3C(NC(NC3=O)=O)=O
Identifier:
other: InChl
InChI=1/C16H11N5O4/c1-18-13(22)9(6-17)11-7-4-2-3-5-8(7)12(19-11)10-4(23)20-16(25)21-15(10)24/h2-5,19H,1H3,(H,18,22)(H2,20,21,23,24,25)
Identifier:
other: SMILES notation
O=C3NC(=O)NC(=O)\\C3=C1\\NC(=C(C#N)C(=O)NC)c2ccccc12
2-cyano-N-methyl-2-[3-(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)-2,3-dihydro-1H-isoindol-1-ylidene]acetamide

CAS information

CAS number:
76199-85-4

Molecular and structural information

Molecular formula:
C16H11N5O4
Molecular weight:
337.29
SMILES notation:
C1=C\2C(=CC=C1)C(NC2=C(\C(=O)NC)C#N)=C3C(NC(NC3=O)=O)=O
InChl:
InChI=1/C16H11N5O4/c1-18-13(22)9(6-17)11-7-4-2-3-5-8(7)12(19-11)10-14(23)20-16(25)21-15(10)24/h2-5,19H,1H3,(H,18,22)(H2,20,21,23,24,25)
Structural formula:
Chemical structure