(4-cyanophenyl)methyl 4-ethoxy-5-methoxy-2-nitro-benzoate

Systemtic Name: (4-cyanophenyl)methyl 4-ethoxy-5-methoxy-2-nitro-benzoate Openeye Name: (4-cyanophenyl)methyl 4-ethoxy-5-methoxy-2-nitro-benzoate CAS Name: 4-ethoxy-5-methoxy-2-nitrobenzoic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 4-ethoxy-5-methoxy-2-nitrobenzoate Traditional Name: 4-ethoxy-5-methoxy-2-nitro-benzoic acid (4-cyanobenzyl) ester Formula: C18H16N2O6 MolecularWeight: 356.32944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2O6/c1-3-25-17-9-15(20(22)23)14(8-16(17)24-2)18(21)26-11-13-6-4-12(10-19)5-7-13/h4-9H,3,11H2,1-2H3