methyl 3-[2-(4-nitroimidazol-1-yl)ethanoylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[2-(4-nitroimidazol-1-yl)ethanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[2-(4-nitroimidazol-1-yl)acetyl]amino]thiophene-2-carboxylate CAS Name: 3-[[2-(4-nitro-1-imidazolyl)-1-oxoethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-(4-nitroimidazol-1-yl)acetyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[2-(4-nitroimidazol-1-yl)acetyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C11H10N4O5S MolecularWeight: 310.2859

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)CN2C=C(N=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)CN2C=C(N=C2)[N+](=O)[O-]

InChI

InChI=1S/C11H10N4O5S/c1-20-11(17)10-7(2-3-21-10)13-9(16)5-14-4-8(12-6-14)15(18)19/h2-4,6H,5H2,1H3,(H,13,16)