(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 4-(4-chloranyl-2-nitro-phenoxy)benzoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 4-(4-chloranyl-2-nitro-phenoxy)benzoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-(4-chloro-2-nitro-phenoxy)benzoate CAS Name: 4-(4-chloro-2-nitrophenoxy)benzoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-(4-chloro-2-nitrophenoxy)benzoate Traditional Name: 4-(4-chloro-2-nitro-phenoxy)benzoic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C21H13ClN4O6 MolecularWeight: 452.80412

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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)OC4=C(C=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(N=N2)COC(=O)C3=CC=C(C=C3)OC4=C(C=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H13ClN4O6/c22-14-7-10-19(18(11-14)26(29)30)32-15-8-5-13(6-9-15)21(28)31-12-25-20(27)16-3-1-2-4-17(16)23-24-25/h1-11H,12H2