methyl 2-[(5-nitrothiophen-2-yl)carbonylamino]-3-oxidanyl-propanoate

Systemtic Name: methyl 2-[(5-nitrothiophen-2-yl)carbonylamino]-3-oxidanyl-propanoate Openeye Name: methyl 3-hydroxy-2-[(5-nitrothiophene-2-carbonyl)amino]propanoate CAS Name: 3-hydroxy-2-[[(5-nitro-2-thiophenyl)-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-hydroxy-2-[(5-nitrothiophene-2-carbonyl)amino]propanoate Traditional Name: 3-hydroxy-2-[(5-nitrothiophene-2-carbonyl)amino]propionic acid methyl ester Formula: C9H10N2O6S MolecularWeight: 274.2505

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CO)NC(=O)C1=CC=C(S1)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C(CO)NC(=O)C1=CC=C(S1)[N+](=O)[O-]

InChI

InChI=1S/C9H10N2O6S/c1-17-9(14)5(4-12)10-8(13)6-2-3-7(18-6)11(15)16/h2-3,5,12H,4H2,1H3,(H,10,13)