4-[[1,4-bis(oxidanylidene)-6,7,8,8a-tetrahydro-2H-pyrrolo[1,2-d][1,2,4]triazin-3-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[1,4-bis(oxidanylidene)-6,7,8,8a-tetrahydro-2H-pyrrolo[1,2-d][1,2,4]triazin-3-yl]methyl]benzenecarbonitrile Openeye Name: 4-[(1,4-dioxo-6,7,8,8a-tetrahydro-2H-pyrrolo[1,2-d][1,2,4]triazin-3-yl)methyl]benzonitrile CAS Name: 4-[(1,4-dioxo-6,7,8,8a-tetrahydro-2H-pyrrolo[1,2-d][1,2,4]triazin-3-yl)methyl]benzonitrile IUPAC Name: 4-[(1,4-dioxo-6,7,8,8a-tetrahydro-2H-pyrrolo[1,2-d][1,2,4]triazin-3-yl)methyl]benzonitrile Traditional Name: 4-[(1,4-diketo-6,7,8,8a-tetrahydro-2H-pyrrolo[1,2-d][1,2,4]triazin-3-yl)methyl]benzonitrile Formula: C14H14N4O2 MolecularWeight: 270.28656

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C(=O)NN(C(=O)N2C1)CC3=CC=C(C=C3)C#N

Isomeric SMILES

C1CC2C(=O)NN(C(=O)N2C1)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C14H14N4O2/c15-8-10-3-5-11(6-4-10)9-18-14(20)17-7-1-2-12(17)13(19)16-18/h3-6,12H,1-2,7,9H2,(H,16,19)