1-[(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl]-1,2,4-triazole-3-carbonitrile

Systemtic Name: 1-[(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl]-1,2,4-triazole-3-carbonitrile Openeye Name: 1-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]-1,2,4-triazole-3-carbonitrile CAS Name: 1-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]-1,2,4-triazole-3-carbonitrile IUPAC Name: 1-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]-1,2,4-triazole-3-carbonitrile Traditional Name: 1-[(4-keto-1,2,3-benzotriazin-3-yl)methyl]-1,2,4-triazole-3-carbonitrile Formula: C11H7N7O MolecularWeight: 253.21958

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(N=N2)CN3C=NC(=N3)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(N=N2)CN3C=NC(=N3)C#N

InChI

InChI=1S/C11H7N7O/c12-5-10-13-6-17(15-10)7-18-11(19)8-3-1-2-4-9(8)14-16-18/h1-4,6H,7H2