methyl 2-(4-ethoxy-4-oxidanylidene-butoxy)-5-nitro-benzoate

Systemtic Name: methyl 2-(4-ethoxy-4-oxidanylidene-butoxy)-5-nitro-benzoate Openeye Name: methyl 2-(4-ethoxy-4-oxo-butoxy)-5-nitro-benzoate CAS Name: 2-(4-ethoxy-4-oxobutoxy)-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-(4-ethoxy-4-oxobutoxy)-5-nitrobenzoate Traditional Name: 2-(4-ethoxy-4-keto-butoxy)-5-nitro-benzoic acid methyl ester Formula: C14H17NO7 MolecularWeight: 311.28728

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCOC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CCOC(=O)CCCOC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C14H17NO7/c1-3-21-13(16)5-4-8-22-12-7-6-10(15(18)19)9-11(12)14(17)20-2/h6-7,9H,3-5,8H2,1-2H3