4-[methyl(oxan-4-yl)amino]-3-nitro-benzoic acid

Systemtic Name: 4-[methyl(oxan-4-yl)amino]-3-nitro-benzoic acid Openeye Name: 4-[methyl(tetrahydropyran-4-yl)amino]-3-nitro-benzoic acid CAS Name: 4-[methyl(4-oxanyl)amino]-3-nitrobenzoic acid IUPAC Name: 4-[methyl(oxan-4-yl)amino]-3-nitrobenzoic acid Traditional Name: 4-[methyl(tetrahydropyran-4-yl)amino]-3-nitro-benzoic acid Formula: C13H16N2O5 MolecularWeight: 280.27654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCOCC1)C2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CN(C1CCOCC1)C2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H16N2O5/c1-14(10-4-6-20-7-5-10)11-3-2-9(13(16)17)8-12(11)15(18)19/h2-3,8,10H,4-7H2,1H3,(H,16,17)