5-methoxy-4-(3-methoxy-3-oxidanylidene-propoxy)-2-nitro-benzoic acid

Systemtic Name: 5-methoxy-4-(3-methoxy-3-oxidanylidene-propoxy)-2-nitro-benzoic acid Openeye Name: 5-methoxy-4-(3-methoxy-3-oxo-propoxy)-2-nitro-benzoic acid CAS Name: 5-methoxy-4-(3-methoxy-3-oxopropoxy)-2-nitrobenzoic acid IUPAC Name: 5-methoxy-4-(3-methoxy-3-oxopropoxy)-2-nitrobenzoic acid Traditional Name: 4-(3-keto-3-methoxy-propoxy)-5-methoxy-2-nitro-benzoic acid Formula: C12H13NO8 MolecularWeight: 299.23352

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)O)[N+](=O)[O-])OCCC(=O)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)O)[N+](=O)[O-])OCCC(=O)OC

InChI

InChI=1S/C12H13NO8/c1-19-9-5-7(12(15)16)8(13(17)18)6-10(9)21-4-3-11(14)20-2/h5-6H,3-4H2,1-2H3,(H,15,16)