[4-(4-cyanophenyl)phenyl] 4-ethoxy-5-methoxy-2-nitro-benzoate

Systemtic Name: [4-(4-cyanophenyl)phenyl] 4-ethoxy-5-methoxy-2-nitro-benzoate Openeye Name: [4-(4-cyanophenyl)phenyl] 4-ethoxy-5-methoxy-2-nitro-benzoate CAS Name: 4-ethoxy-5-methoxy-2-nitrobenzoic acid [4-(4-cyanophenyl)phenyl] ester IUPAC Name: [4-(4-cyanophenyl)phenyl] 4-ethoxy-5-methoxy-2-nitrobenzoate Traditional Name: 4-ethoxy-5-methoxy-2-nitro-benzoic acid [4-(4-cyanophenyl)phenyl] ester Formula: C23H18N2O6 MolecularWeight: 418.39882

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)C#N)OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)C#N)OC

InChI

InChI=1S/C23H18N2O6/c1-3-30-22-13-20(25(27)28)19(12-21(22)29-2)23(26)31-18-10-8-17(9-11-18)16-6-4-15(14-24)5-7-16/h4-13H,3H2,1-2H3