3-[3-(dimethylamino)propoxy]-4-nitro-benzoic acid

Systemtic Name: 3-[3-(dimethylamino)propoxy]-4-nitro-benzoic acid Openeye Name: 3-[3-(dimethylamino)propoxy]-4-nitro-benzoic acid CAS Name: 3-[3-(dimethylamino)propoxy]-4-nitrobenzoic acid IUPAC Name: 3-[3-(dimethylamino)propoxy]-4-nitrobenzoic acid Traditional Name: 3-[3-(dimethylamino)propoxy]-4-nitro-benzoic acid Formula: C12H16N2O5 MolecularWeight: 268.26584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCOC1=C(C=CC(=C1)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CN(C)CCCOC1=C(C=CC(=C1)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C12H16N2O5/c1-13(2)6-3-7-19-11-8-9(12(15)16)4-5-10(11)14(17)18/h4-5,8H,3,6-7H2,1-2H3,(H,15,16)