3-[4-(5-nitrothiophen-2-yl)carbonylpiperazin-1-yl]propanoic acid

Systemtic Name: 3-[4-(5-nitrothiophen-2-yl)carbonylpiperazin-1-yl]propanoic acid Openeye Name: 3-[4-(5-nitrothiophene-2-carbonyl)piperazin-1-yl]propanoic acid CAS Name: 3-[4-[(5-nitro-2-thiophenyl)-oxomethyl]-1-piperazinyl]propanoic acid IUPAC Name: 3-[4-(5-nitrothiophene-2-carbonyl)piperazin-1-yl]propanoic acid Traditional Name: 3-[4-(5-nitrothiophene-2-carbonyl)piperazino]propionic acid Formula: C12H15N3O5S MolecularWeight: 313.3296

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)O)C(=O)C2=CC=C(S2)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CCC(=O)O)C(=O)C2=CC=C(S2)[N+](=O)[O-]

InChI

InChI=1S/C12H15N3O5S/c16-11(17)3-4-13-5-7-14(8-6-13)12(18)9-1-2-10(21-9)15(19)20/h1-2H,3-8H2,(H,16,17)