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

Systemtic Name: (4-cyano-2-ethoxy-phenyl) 3-methyl-4-nitro-benzoate Openeye Name: (4-cyano-2-ethoxy-phenyl) 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid (4-cyano-2-ethoxyphenyl) ester IUPAC Name: (4-cyano-2-ethoxyphenyl) 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid (4-cyano-2-ethoxy-phenyl) ester Formula: C17H14N2O5 MolecularWeight: 326.30346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14N2O5/c1-3-23-16-9-12(10-18)4-7-15(16)24-17(20)13-5-6-14(19(21)22)11(2)8-13/h4-9H,3H2,1-2H3