3-methoxy-5-nitro-4-propoxy-benzoic acid

Systemtic Name: 3-methoxy-5-nitro-4-propoxy-benzoic acid Openeye Name: 3-methoxy-5-nitro-4-propoxy-benzoic acid CAS Name: 3-methoxy-5-nitro-4-propoxybenzoic acid IUPAC Name: 3-methoxy-5-nitro-4-propoxybenzoic acid Traditional Name: 3-methoxy-5-nitro-4-propoxy-benzoic acid Formula: C11H13NO6 MolecularWeight: 255.22402

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1OC)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCCOC1=C(C=C(C=C1OC)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C11H13NO6/c1-3-4-18-10-8(12(15)16)5-7(11(13)14)6-9(10)17-2/h5-6H,3-4H2,1-2H3,(H,13,14)