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

Systemtic Name: methyl 3-[(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl]benzoate Openeye Name: methyl 3-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]benzoate CAS Name: 3-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]benzoate Traditional Name: 3-[(4-keto-1,2,3-benzotriazin-3-yl)methyl]benzoic acid methyl ester Formula: C16H13N3O3 MolecularWeight: 295.29272

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CN2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CN2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C16H13N3O3/c1-22-16(21)12-6-4-5-11(9-12)10-19-15(20)13-7-2-3-8-14(13)17-18-19/h2-9H,10H2,1H3