ethyl 5-(7-ethoxy-7-oxidanylidene-heptoxy)-4-(2-methoxyethoxy)-2-nitro-benzoate

Systemtic Name: ethyl 5-(7-ethoxy-7-oxidanylidene-heptoxy)-4-(2-methoxyethoxy)-2-nitro-benzoate Openeye Name: ethyl 5-(7-ethoxy-7-oxo-heptoxy)-4-(2-methoxyethoxy)-2-nitro-benzoate CAS Name: 5-(7-ethoxy-7-oxoheptoxy)-4-(2-methoxyethoxy)-2-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 5-(7-ethoxy-7-oxoheptoxy)-4-(2-methoxyethoxy)-2-nitrobenzoate Traditional Name: 5-(7-ethoxy-7-keto-heptoxy)-4-(2-methoxyethoxy)-2-nitro-benzoic acid ethyl ester Formula: C21H31NO9 MolecularWeight: 441.47214

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCCOC1=C(C=C(C(=C1)C(=O)OCC)[N+](=O)[O-])OCCOC

Isomeric SMILES

CCOC(=O)CCCCCCOC1=C(C=C(C(=C1)C(=O)OCC)[N+](=O)[O-])OCCOC

InChI

InChI=1S/C21H31NO9/c1-4-28-20(23)10-8-6-7-9-11-30-18-14-16(21(24)29-5-2)17(22(25)26)15-19(18)31-13-12-27-3/h14-15H,4-13H2,1-3H3