(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-(4-chloranyl-3-nitro-phenyl)carbonylbenzoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-(4-chloranyl-3-nitro-phenyl)carbonylbenzoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-(4-chloro-3-nitro-benzoyl)benzoate CAS Name: 2-[(4-chloro-3-nitrophenyl)-oxomethyl]benzoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-(4-chloro-3-nitrobenzoyl)benzoate Traditional Name: 2-(4-chloro-3-nitro-benzoyl)benzoic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C22H13ClN4O6 MolecularWeight: 464.81482

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(N=N2)COC(=O)C3=CC=CC=C3C(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(N=N2)COC(=O)C3=CC=CC=C3C(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H13ClN4O6/c23-17-10-9-13(11-19(17)27(31)32)20(28)14-5-1-2-6-15(14)22(30)33-12-26-21(29)16-7-3-4-8-18(16)24-25-26/h1-11H,12H2