4-methoxy-2-nitro-3-pentoxy-benzoic acid

Systemtic Name: 4-methoxy-2-nitro-3-pentoxy-benzoic acid Openeye Name: 4-methoxy-2-nitro-3-pentoxy-benzoic acid CAS Name: 4-methoxy-2-nitro-3-pentoxybenzoic acid IUPAC Name: 4-methoxy-2-nitro-3-pentoxybenzoic acid Traditional Name: 3-amoxy-4-methoxy-2-nitro-benzoic acid Formula: C13H17NO6 MolecularWeight: 283.27718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO6/c1-3-4-5-8-20-12-10(19-2)7-6-9(13(15)16)11(12)14(17)18/h6-7H,3-5,8H2,1-2H3,(H,15,16)