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

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 4-(4-chloranyl-2-nitro-phenoxy)-3-methoxy-benzoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-(4-chloro-2-nitro-phenoxy)-3-methoxy-benzoate CAS Name: 4-(4-chloro-2-nitrophenoxy)-3-methoxybenzoic 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)-3-methoxybenzoate Traditional Name: 4-(4-chloro-2-nitro-phenoxy)-3-methoxy-benzoic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C22H15ClN4O7 MolecularWeight: 482.8301

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)OCN2C(=O)C3=CC=CC=C3N=N2)OC4=C(C=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OCN2C(=O)C3=CC=CC=C3N=N2)OC4=C(C=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H15ClN4O7/c1-32-20-10-13(6-8-19(20)34-18-9-7-14(23)11-17(18)27(30)31)22(29)33-12-26-21(28)15-4-2-3-5-16(15)24-25-26/h2-11H,12H2,1H3