5-[3-(4-nitroimidazol-1-yl)propanoylamino]thiophene-2-carboxylic acid

Systemtic Name: 5-[3-(4-nitroimidazol-1-yl)propanoylamino]thiophene-2-carboxylic acid Openeye Name: 5-[3-(4-nitroimidazol-1-yl)propanoylamino]thiophene-2-carboxylic acid CAS Name: 5-[[3-(4-nitro-1-imidazolyl)-1-oxopropyl]amino]-2-thiophenecarboxylic acid IUPAC Name: 5-[3-(4-nitroimidazol-1-yl)propanoylamino]thiophene-2-carboxylic acid Traditional Name: 5-[3-(4-nitroimidazol-1-yl)propanoylamino]-2-thenoic acid Formula: C11H10N4O5S MolecularWeight: 310.2859

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H10N4O5S/c16-9(13-10-2-1-7(21-10)11(17)18)3-4-14-5-8(12-6-14)15(19)20/h1-2,5-6H,3-4H2,(H,13,16)(H,17,18)