2-[(2-morpholin-4-ium-4-ylethanoylamino)methyl]-4-nitro-phenolate

Systemtic Name: 2-[(2-morpholin-4-ium-4-ylethanoylamino)methyl]-4-nitro-phenolate Openeye Name: 2-[[(2-morpholin-4-ium-4-ylacetyl)amino]methyl]-4-nitro-phenolate CAS Name: 2-[[[2-(4-morpholin-4-iumyl)-1-oxoethyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[(2-morpholin-4-ium-4-ylacetyl)amino]methyl]-4-nitrophenolate Traditional Name: 2-[[(2-morpholin-4-ium-4-ylacetyl)amino]methyl]-4-nitro-phenolate Formula: C13H17N3O5 MolecularWeight: 295.29118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

C1COCC[NH+]1CC(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

InChI

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