methyl 3-[4-(5-nitrothiophen-2-yl)carbonylpiperazin-1-yl]propanoate

Systemtic Name: methyl 3-[4-(5-nitrothiophen-2-yl)carbonylpiperazin-1-yl]propanoate Openeye Name: methyl 3-[4-(5-nitrothiophene-2-carbonyl)piperazin-1-yl]propanoate CAS Name: 3-[4-[(5-nitro-2-thiophenyl)-oxomethyl]-1-piperazinyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-(5-nitrothiophene-2-carbonyl)piperazin-1-yl]propanoate Traditional Name: 3-[4-(5-nitrothiophene-2-carbonyl)piperazino]propionic acid methyl ester Formula: C13H17N3O5S MolecularWeight: 327.35618

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1CCN(CC1)C(=O)C2=CC=C(S2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CCN1CCN(CC1)C(=O)C2=CC=C(S2)[N+](=O)[O-]

InChI

InChI=1S/C13H17N3O5S/c1-21-12(17)4-5-14-6-8-15(9-7-14)13(18)10-2-3-11(22-10)16(19)20/h2-3H,4-9H2,1H3