3-[5-ethanoyl-2,4,6-tris(oxidanylidene)-3-prop-2-ynyl-1,3-diazinan-1-yl]benzenecarbonitrile

Systemtic Name: 3-[5-ethanoyl-2,4,6-tris(oxidanylidene)-3-prop-2-ynyl-1,3-diazinan-1-yl]benzenecarbonitrile Openeye Name: 3-(5-acetyl-2,4,6-trioxo-3-prop-2-ynyl-hexahydropyrimidin-1-yl)benzonitrile CAS Name: 3-(5-acetyl-2,4,6-trioxo-3-prop-2-ynyl-1,3-diazinan-1-yl)benzonitrile IUPAC Name: 3-(5-acetyl-2,4,6-trioxo-3-prop-2-ynyl-1,3-diazinan-1-yl)benzonitrile Traditional Name: 3-(5-acetyl-2,4,6-triketo-3-propargyl-hexahydropyrimidin-1-yl)benzonitrile Formula: C16H11N3O4 MolecularWeight: 309.27624

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1C(=O)N(C(=O)N(C1=O)C2=CC=CC(=C2)C#N)CC#C

Isomeric SMILES

CC(=O)C1C(=O)N(C(=O)N(C1=O)C2=CC=CC(=C2)C#N)CC#C

InChI

InChI=1S/C16H11N3O4/c1-3-7-18-14(21)13(10(2)20)15(22)19(16(18)23)12-6-4-5-11(8-12)9-17/h1,4-6,8,13H,7H2,2H3