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

Systemtic Name: ethyl 4-(7-ethoxy-7-oxidanylidene-heptoxy)-5-methoxy-2-nitro-benzoate Openeye Name: ethyl 4-(7-ethoxy-7-oxo-heptoxy)-5-methoxy-2-nitro-benzoate CAS Name: 4-(7-ethoxy-7-oxoheptoxy)-5-methoxy-2-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 4-(7-ethoxy-7-oxoheptoxy)-5-methoxy-2-nitrobenzoate Traditional Name: 4-(7-ethoxy-7-keto-heptoxy)-5-methoxy-2-nitro-benzoic acid ethyl ester Formula: C19H27NO8 MolecularWeight: 397.41958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27NO8/c1-4-26-18(21)10-8-6-7-9-11-28-17-13-15(20(23)24)14(12-16(17)25-3)19(22)27-5-2/h12-13H,4-11H2,1-3H3