ethyl 2-chloranyl-5-nitro-4-(2-nitro-4-phenylmethoxy-phenoxy)benzoate

Systemtic Name: ethyl 2-chloranyl-5-nitro-4-(2-nitro-4-phenylmethoxy-phenoxy)benzoate Openeye Name: ethyl 4-(4-benzyloxy-2-nitro-phenoxy)-2-chloro-5-nitro-benzoate CAS Name: 2-chloro-5-nitro-4-(2-nitro-4-phenylmethoxyphenoxy)benzoic acid ethyl ester IUPAC Name: ethyl 2-chloro-5-nitro-4-(2-nitro-4-phenylmethoxyphenoxy)benzoate Traditional Name: 4-(4-benzoxy-2-nitro-phenoxy)-2-chloro-5-nitro-benzoic acid ethyl ester Formula: C22H17ClN2O8 MolecularWeight: 472.83198

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1Cl)OC2=C(C=C(C=C2)OCC3=CC=CC=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1Cl)OC2=C(C=C(C=C2)OCC3=CC=CC=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H17ClN2O8/c1-2-31-22(26)16-11-19(25(29)30)21(12-17(16)23)33-20-9-8-15(10-18(20)24(27)28)32-13-14-6-4-3-5-7-14/h3-12H,2,13H2,1H3