(4-cyanophenyl) 4-(4-chloranyl-2-nitro-phenoxy)-3-methoxy-benzoate

Systemtic Name: (4-cyanophenyl) 4-(4-chloranyl-2-nitro-phenoxy)-3-methoxy-benzoate Openeye Name: (4-cyanophenyl) 4-(4-chloro-2-nitro-phenoxy)-3-methoxy-benzoate CAS Name: 4-(4-chloro-2-nitrophenoxy)-3-methoxybenzoic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 4-(4-chloro-2-nitrophenoxy)-3-methoxybenzoate Traditional Name: 4-(4-chloro-2-nitro-phenoxy)-3-methoxy-benzoic acid (4-cyanophenyl) ester Formula: C21H13ClN2O6 MolecularWeight: 424.79072

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)OC2=CC=C(C=C2)C#N)OC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OC2=CC=C(C=C2)C#N)OC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H13ClN2O6/c1-28-20-10-14(21(25)29-16-6-2-13(12-23)3-7-16)4-8-19(20)30-18-9-5-15(22)11-17(18)24(26)27/h2-11H,1H3