(4-cyanophenyl)methyl 4,5-dimethoxy-2-nitro-benzoate

Systemtic Name: (4-cyanophenyl)methyl 4,5-dimethoxy-2-nitro-benzoate Openeye Name: (4-cyanophenyl)methyl 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid (4-cyanobenzyl) ester Formula: C17H14N2O6 MolecularWeight: 342.30286

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OCC2=CC=C(C=C2)C#N)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OCC2=CC=C(C=C2)C#N)[N+](=O)[O-])OC

InChI

InChI=1S/C17H14N2O6/c1-23-15-7-13(14(19(21)22)8-16(15)24-2)17(20)25-10-12-5-3-11(9-18)4-6-12/h3-8H,10H2,1-2H3