(4-cyanophenyl)methyl 4-ethoxy-3-nitro-benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)OCC2=CC=C(C=C2)C#N)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)OCC2=CC=C(C=C2)C#N)[N+](=O)[O-]

InChI

InChI=1S/C17H14N2O5/c1-2-23-16-8-7-14(9-15(16)19(21)22)17(20)24-11-13-5-3-12(10-18)4-6-13/h3-9H,2,11H2,1H3