[4-(4-cyanophenoxy)phenyl] 4-bromanyl-3-nitro-benzoate

Systemtic Name: [4-(4-cyanophenoxy)phenyl] 4-bromanyl-3-nitro-benzoate Openeye Name: [4-(4-cyanophenoxy)phenyl] 4-bromo-3-nitro-benzoate CAS Name: 4-bromo-3-nitrobenzoic acid [4-(4-cyanophenoxy)phenyl] ester IUPAC Name: [4-(4-cyanophenoxy)phenyl] 4-bromo-3-nitrobenzoate Traditional Name: 4-bromo-3-nitro-benzoic acid [4-(4-cyanophenoxy)phenyl] ester Formula: C20H11BrN2O5 MolecularWeight: 439.21574

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)OC2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C#N)OC2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C20H11BrN2O5/c21-18-10-3-14(11-19(18)23(25)26)20(24)28-17-8-6-16(7-9-17)27-15-4-1-13(12-22)2-5-15/h1-11H