2-(3-ethylphenoxy)-1-[4-(5-nitrothiophen-2-yl)carbonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(3-ethylphenoxy)-1-[4-(5-nitrothiophen-2-yl)carbonylpiperazin-1-yl]ethanone Openeye Name: 2-(3-ethylphenoxy)-1-[4-(5-nitrothiophene-2-carbonyl)piperazin-1-yl]ethanone CAS Name: 2-(3-ethylphenoxy)-1-[4-[(5-nitro-2-thiophenyl)-oxomethyl]-1-piperazinyl]ethanone IUPAC Name: 2-(3-ethylphenoxy)-1-[4-(5-nitrothiophene-2-carbonyl)piperazin-1-yl]ethanone Traditional Name: 2-(3-ethylphenoxy)-1-[4-(5-nitrothiophene-2-carbonyl)piperazino]ethanone Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)OCC(=O)N2CCN(CC2)C(=O)C3=CC=C(S3)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC(=CC=C1)OCC(=O)N2CCN(CC2)C(=O)C3=CC=C(S3)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O5S/c1-2-14-4-3-5-15(12-14)27-13-17(23)20-8-10-21(11-9-20)19(24)16-6-7-18(28-16)22(25)26/h3-7,12H,2,8-11,13H2,1H3