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

Systemtic Name: 4-(4-ethoxy-4-oxidanylidene-butoxy)-5-methoxy-2-nitro-benzoic acid Openeye Name: 4-(4-ethoxy-4-oxo-butoxy)-5-methoxy-2-nitro-benzoic acid CAS Name: 4-(4-ethoxy-4-oxobutoxy)-5-methoxy-2-nitrobenzoic acid IUPAC Name: 4-(4-ethoxy-4-oxobutoxy)-5-methoxy-2-nitrobenzoic acid Traditional Name: 4-(4-ethoxy-4-keto-butoxy)-5-methoxy-2-nitro-benzoic acid Formula: C14H17NO8 MolecularWeight: 327.28668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO8/c1-3-22-13(16)5-4-6-23-12-8-10(15(19)20)9(14(17)18)7-11(12)21-2/h7-8H,3-6H2,1-2H3,(H,17,18)