2-methyl-1-[4-(5-nitrothiophen-2-yl)carbonylpiperazin-1-yl]butan-1-one

Systemtic Name: 2-methyl-1-[4-(5-nitrothiophen-2-yl)carbonylpiperazin-1-yl]butan-1-one Openeye Name: 2-methyl-1-[4-(5-nitrothiophene-2-carbonyl)piperazin-1-yl]butan-1-one CAS Name: 2-methyl-1-[4-[(5-nitro-2-thiophenyl)-oxomethyl]-1-piperazinyl]-1-butanone IUPAC Name: 2-methyl-1-[4-(5-nitrothiophene-2-carbonyl)piperazin-1-yl]butan-1-one Traditional Name: 2-methyl-1-[4-(5-nitrothiophene-2-carbonyl)piperazino]butan-1-one Formula: C14H19N3O4S MolecularWeight: 325.38336

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)N1CCN(CC1)C(=O)C2=CC=C(S2)[N+](=O)[O-]

Isomeric SMILES

CCC(C)C(=O)N1CCN(CC1)C(=O)C2=CC=C(S2)[N+](=O)[O-]

InChI

InChI=1S/C14H19N3O4S/c1-3-10(2)13(18)15-6-8-16(9-7-15)14(19)11-4-5-12(22-11)17(20)21/h4-5,10H,3,6-9H2,1-2H3