2-[4-(5-nitrothiophen-2-yl)carbonylpiperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-(5-nitrothiophen-2-yl)carbonylpiperazin-1-yl]ethanoic acid Openeye Name: 2-[4-(5-nitrothiophene-2-carbonyl)piperazin-1-yl]acetic acid CAS Name: 2-[4-[(5-nitro-2-thiophenyl)-oxomethyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[4-(5-nitrothiophene-2-carbonyl)piperazin-1-yl]acetic acid Traditional Name: 2-[4-(5-nitrothiophene-2-carbonyl)piperazino]acetic acid Formula: C11H13N3O5S MolecularWeight: 299.30302

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)O)C(=O)C2=CC=C(S2)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC(=O)O)C(=O)C2=CC=C(S2)[N+](=O)[O-]

InChI

InChI=1S/C11H13N3O5S/c15-10(16)7-12-3-5-13(6-4-12)11(17)8-1-2-9(20-8)14(18)19/h1-2H,3-7H2,(H,15,16)