2-(4-cyanophenoxy)ethyl 4-bromanyl-3-nitro-benzoate

Systemtic Name: 2-(4-cyanophenoxy)ethyl 4-bromanyl-3-nitro-benzoate Openeye Name: 2-(4-cyanophenoxy)ethyl 4-bromo-3-nitro-benzoate CAS Name: 4-bromo-3-nitrobenzoic acid 2-(4-cyanophenoxy)ethyl ester IUPAC Name: 2-(4-cyanophenoxy)ethyl 4-bromo-3-nitrobenzoate Traditional Name: 4-bromo-3-nitro-benzoic acid 2-(4-cyanophenoxy)ethyl ester Formula: C16H11BrN2O5 MolecularWeight: 391.17294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11BrN2O5/c17-14-6-3-12(9-15(14)19(21)22)16(20)24-8-7-23-13-4-1-11(10-18)2-5-13/h1-6,9H,7-8H2