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

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 3-nitrobenzoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-nitrobenzoate Traditional Name: 3-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/c20-14-12-6-1-2-7-13(12)16-17-18(14)9-24-15(21)10-4-3-5-11(8-10)19(22)23/h1-8H,9H2