2-(2-morpholin-4-ylethylamino)-5-nitro-benzoate

Systemtic Name: 2-(2-morpholin-4-ylethylamino)-5-nitro-benzoate Openeye Name: 2-(2-morpholinoethylamino)-5-nitro-benzoate CAS Name: 2-[2-(4-morpholinyl)ethylamino]-5-nitrobenzoate IUPAC Name: 2-(2-morpholin-4-ylethylamino)-5-nitrobenzoate Traditional Name: 2-(2-morpholinoethylamino)-5-nitro-benzoate Formula: C13H16N3O5- MolecularWeight: 294.28324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCNC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

C1COCCN1CCNC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C13H17N3O5/c17-13(18)11-9-10(16(19)20)1-2-12(11)14-3-4-15-5-7-21-8-6-15/h1-2,9,14H,3-8H2,(H,17,18)/p-1