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

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-nitrobenzoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C15H10N4O5 MolecularWeight: 326.2637

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(N=N2)COC(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(N=N2)COC(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C15H10N4O5/c20-14-10-5-1-3-7-12(10)16-17-18(14)9-24-15(21)11-6-2-4-8-13(11)19(22)23/h1-8H,9H2