2-(1-azanyl-3-morpholin-4-yl-1-oxidanylidene-pentan-2-yl)-5-nitro-1,2,4-triazole-3-carboxylic acid

Systemtic Name: 2-(1-azanyl-3-morpholin-4-yl-1-oxidanylidene-pentan-2-yl)-5-nitro-1,2,4-triazole-3-carboxylic acid Openeye Name: 2-(1-carbamoyl-2-morpholino-butyl)-5-nitro-1,2,4-triazole-3-carboxylic acid CAS Name: 2-[1-amino-3-(4-morpholinyl)-1-oxopentan-2-yl]-5-nitro-1,2,4-triazole-3-carboxylic acid IUPAC Name: 2-(1-amino-3-morpholin-4-yl-1-oxopentan-2-yl)-5-nitro-1,2,4-triazole-3-carboxylic acid Traditional Name: 2-(1-carbamoyl-2-morpholino-butyl)-5-nitro-1,2,4-triazole-3-carboxylic acid Formula: C12H18N6O6 MolecularWeight: 342.30792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C(=O)N)N1C(=NC(=N1)[N+](=O)[O-])C(=O)O)N2CCOCC2

Isomeric SMILES

CCC(C(C(=O)N)N1C(=NC(=N1)[N+](=O)[O-])C(=O)O)N2CCOCC2

InChI

InChI=1S/C12H18N6O6/c1-2-7(16-3-5-24-6-4-16)8(9(13)19)17-10(11(20)21)14-12(15-17)18(22)23/h7-8H,2-6H2,1H3,(H2,13,19)(H,20,21)