[azanyl-[(2-methoxycarbonyl-6-nitro-phenyl)methylsulfanyl]methylidene]azanium bromide

Systemtic Name: [azanyl-[(2-methoxycarbonyl-6-nitro-phenyl)methylsulfanyl]methylidene]azanium bromide Openeye Name: [amino-[(2-methoxycarbonyl-6-nitro-phenyl)methylsulfanyl]methylene]ammonium bromide CAS Name: [amino-[(2-methoxycarbonyl-6-nitrophenyl)methylthio]methylidene]ammonium bromide IUPAC Name: [amino-[(2-methoxycarbonyl-6-nitrophenyl)methylsulfanyl]methylidene]azanium bromide Traditional Name: [amino-[(2-carbomethoxy-6-nitro-benzyl)thio]methylene]ammonium bromide Formula: C10H12BrN3O4S MolecularWeight: 350.18898

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])CSC(=[NH2+])N.[Br-]

Isomeric SMILES

COC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])CSC(=[NH2+])N.[Br-]

InChI

InChI=1S/C10H11N3O4S.BrH/c1-17-9(14)6-3-2-4-8(13(15)16)7(6)5-18-10(11)12;/h2-4H,5H2,1H3,(H3,11,12);1H