(4-nitrophenyl)carbonyloxymethyl-[(2-sulfanylethylamino)methylidene]azanium

Systemtic Name: (4-nitrophenyl)carbonyloxymethyl-[(2-sulfanylethylamino)methylidene]azanium Openeye Name: (4-nitrobenzoyl)oxymethyl-[(2-sulfanylethylamino)methylene]ammonium CAS Name: (2-mercaptoethylamino)methylidene-[[(4-nitrophenyl)-oxomethoxy]methyl]ammonium IUPAC Name: (4-nitrobenzoyl)oxymethyl-[(2-sulfanylethylamino)methylidene]azanium Traditional Name: (2-mercaptoethylamino)methylene-[(4-nitrobenzoyl)oxymethyl]ammonium Formula: C11H14N3O4S+ MolecularWeight: 284.31156

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OC[NH+]=CNCCS)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)OC[NH+]=CNCCS)[N+](=O)[O-]

InChI

InChI=1S/C11H13N3O4S/c15-11(18-8-13-7-12-5-6-19)9-1-3-10(4-2-9)14(16)17/h1-4,7,19H,5-6,8H2,(H,12,13)/p+1