2,4-bis(4-ethoxy-4-oxidanylidene-butoxy)-5-nitro-benzoic acid

Systemtic Name: 2,4-bis(4-ethoxy-4-oxidanylidene-butoxy)-5-nitro-benzoic acid Openeye Name: 2,4-bis(4-ethoxy-4-oxo-butoxy)-5-nitro-benzoic acid CAS Name: 2,4-bis(4-ethoxy-4-oxobutoxy)-5-nitrobenzoic acid IUPAC Name: 2,4-bis(4-ethoxy-4-oxobutoxy)-5-nitrobenzoic acid Traditional Name: 2,4-bis(4-ethoxy-4-keto-butoxy)-5-nitro-benzoic acid Formula: C19H25NO10 MolecularWeight: 427.4025

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCOC1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])OCCCC(=O)OCC

Isomeric SMILES

CCOC(=O)CCCOC1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])OCCCC(=O)OCC

InChI

InChI=1S/C19H25NO10/c1-3-27-17(21)7-5-9-29-15-12-16(30-10-6-8-18(22)28-4-2)14(20(25)26)11-13(15)19(23)24/h11-12H,3-10H2,1-2H3,(H,23,24)