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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)OCC2=CC=CC=C2C#N)OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)OCC2=CC=CC=C2C#N)OC

InChI

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