2-(carbamimidoylsulfanylmethyl)-3-nitro-benzoic acid

Systemtic Name: 2-(carbamimidoylsulfanylmethyl)-3-nitro-benzoic acid Openeye Name: 2-(carbamimidoylsulfanylmethyl)-3-nitro-benzoic acid CAS Name: 2-[(carbamimidoylthio)methyl]-3-nitrobenzoic acid IUPAC Name: 2-(carbamimidoylsulfanylmethyl)-3-nitrobenzoic acid Traditional Name: 2-[(amidinothio)methyl]-3-nitro-benzoic acid Formula: C9H9N3O4S MolecularWeight: 255.25046

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)[N+](=O)[O-])CSC(=N)N)C(=O)O

Isomeric SMILES

C1=CC(=C(C(=C1)[N+](=O)[O-])CSC(=N)N)C(=O)O

InChI

InChI=1S/C9H9N3O4S/c10-9(11)17-4-6-5(8(13)14)2-1-3-7(6)12(15)16/h1-3H,4H2,(H3,10,11)(H,13,14)