[2-[[3-(4-nitrophenyl)carbonylthiophen-2-yl]amino]-2-oxidanylidene-ethyl]azanium chloride

Systemtic Name: [2-[[3-(4-nitrophenyl)carbonylthiophen-2-yl]amino]-2-oxidanylidene-ethyl]azanium chloride Openeye Name: [2-[[3-(4-nitrobenzoyl)-2-thienyl]amino]-2-oxo-ethyl]ammonium chloride CAS Name: [2-[[3-[(4-nitrophenyl)-oxomethyl]-2-thiophenyl]amino]-2-oxoethyl]ammonium chloride IUPAC Name: [2-[[3-(4-nitrobenzoyl)thiophen-2-yl]amino]-2-oxoethyl]azanium chloride Traditional Name: [2-keto-2-[[3-(4-nitrobenzoyl)-2-thienyl]amino]ethyl]ammonium chloride Formula: C13H12ClN3O4S MolecularWeight: 341.77008

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)C2=C(SC=C2)NC(=O)C[NH3+])[N+](=O)[O-].[Cl-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)C2=C(SC=C2)NC(=O)C[NH3+])[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C13H11N3O4S.ClH/c14-7-11(17)15-13-10(5-6-21-13)12(18)8-1-3-9(4-2-8)16(19)20;/h1-6H,7,14H2,(H,15,17);1H