3-(2-nitrophenyl)-1-piperazin-1-yl-prop-2-yn-1-one hydrochloride

Systemtic Name: 3-(2-nitrophenyl)-1-piperazin-1-yl-prop-2-yn-1-one hydrochloride Openeye Name: 3-(2-nitrophenyl)-1-piperazin-1-yl-prop-2-yn-1-one hydrochloride CAS Name: 3-(2-nitrophenyl)-1-(1-piperazinyl)-2-propyn-1-one hydrochloride IUPAC Name: 3-(2-nitrophenyl)-1-piperazin-1-ylprop-2-yn-1-one hydrochloride Traditional Name: 3-(2-nitrophenyl)-1-piperazino-prop-2-yn-1-one hydrochloride Formula: C13H14ClN3O3 MolecularWeight: 295.72156

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(=O)C#CC2=CC=CC=C2[N+](=O)[O-].Cl

Isomeric SMILES

C1CN(CCN1)C(=O)C#CC2=CC=CC=C2[N+](=O)[O-].Cl

InChI

InChI=1S/C13H13N3O3.ClH/c17-13(15-9-7-14-8-10-15)6-5-11-3-1-2-4-12(11)16(18)19;/h1-4,14H,7-10H2;1H