(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 4-cyanobenzoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 4-cyanobenzoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C16H10N4O3 MolecularWeight: 306.2756

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(N=N2)COC(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(N=N2)COC(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C16H10N4O3/c17-9-11-5-7-12(8-6-11)16(22)23-10-20-15(21)13-3-1-2-4-14(13)18-19-20/h1-8H,10H2