(2-bromanyl-4-cyano-6-ethoxy-phenyl) 3-methyl-4-nitro-benzoate

Systemtic Name: (2-bromanyl-4-cyano-6-ethoxy-phenyl) 3-methyl-4-nitro-benzoate Openeye Name: (2-bromo-4-cyano-6-ethoxy-phenyl) 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid (2-bromo-4-cyano-6-ethoxyphenyl) ester IUPAC Name: (2-bromo-4-cyano-6-ethoxyphenyl) 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid (2-bromo-4-cyano-6-ethoxy-phenyl) ester Formula: C17H13BrN2O5 MolecularWeight: 405.19952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13BrN2O5/c1-3-24-15-8-11(9-19)7-13(18)16(15)25-17(21)12-4-5-14(20(22)23)10(2)6-12/h4-8H,3H2,1-2H3