5-methoxy-2-nitro-4-pentoxy-benzoic acid

Systemtic Name: 5-methoxy-2-nitro-4-pentoxy-benzoic acid Openeye Name: 5-methoxy-2-nitro-4-pentoxy-benzoic acid CAS Name: 5-methoxy-2-nitro-4-pentoxybenzoic acid IUPAC Name: 5-methoxy-2-nitro-4-pentoxybenzoic acid Traditional Name: 4-amoxy-5-methoxy-2-nitro-benzoic acid Formula: C13H17NO6 MolecularWeight: 283.27718

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)O)OC

Isomeric SMILES

CCCCCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)O)OC

InChI

InChI=1S/C13H17NO6/c1-3-4-5-6-20-12-8-10(14(17)18)9(13(15)16)7-11(12)19-2/h7-8H,3-6H2,1-2H3,(H,15,16)