(2-bromanyl-4-cyano-6-ethoxy-phenyl) 3-nitrobenzoate

Systemtic Name: (2-bromanyl-4-cyano-6-ethoxy-phenyl) 3-nitrobenzoate Openeye Name: (2-bromo-4-cyano-6-ethoxy-phenyl) 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid (2-bromo-4-cyano-6-ethoxyphenyl) ester IUPAC Name: (2-bromo-4-cyano-6-ethoxyphenyl) 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid (2-bromo-4-cyano-6-ethoxy-phenyl) ester Formula: C16H11BrN2O5 MolecularWeight: 391.17294

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C#N)Br)OC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C#N)Br)OC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H11BrN2O5/c1-2-23-14-7-10(9-18)6-13(17)15(14)24-16(20)11-4-3-5-12(8-11)19(21)22/h3-8H,2H2,1H3