2-[3-(4-nitroimidazol-1-yl)propanoylamino]thiophene-3-carboxylic acid

Systemtic Name: 2-[3-(4-nitroimidazol-1-yl)propanoylamino]thiophene-3-carboxylic acid Openeye Name: 2-[3-(4-nitroimidazol-1-yl)propanoylamino]thiophene-3-carboxylic acid CAS Name: 2-[[3-(4-nitro-1-imidazolyl)-1-oxopropyl]amino]-3-thiophenecarboxylic acid IUPAC Name: 2-[3-(4-nitroimidazol-1-yl)propanoylamino]thiophene-3-carboxylic acid Traditional Name: 2-[3-(4-nitroimidazol-1-yl)propanoylamino]-3-thenoic acid Formula: C11H10N4O5S MolecularWeight: 310.2859

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1C(=O)O)NC(=O)CCN2C=C(N=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CSC(=C1C(=O)O)NC(=O)CCN2C=C(N=C2)[N+](=O)[O-]

InChI

InChI=1S/C11H10N4O5S/c16-9(13-10-7(11(17)18)2-4-21-10)1-3-14-5-8(12-6-14)15(19)20/h2,4-6H,1,3H2,(H,13,16)(H,17,18)