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

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

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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-])OC

Isomeric SMILES

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

InChI

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