(4-carbamimidoyl-2-nitro-phenyl) ethanoate; methanesulfonate

Systemtic Name: (4-carbamimidoyl-2-nitro-phenyl) ethanoate; methanesulfonate Openeye Name: (4-carbamimidoyl-2-nitro-phenyl) acetate; methanesulfonate CAS Name: acetic acid (4-carbamimidoyl-2-nitrophenyl) ester; methanesulfonate IUPAC Name: (4-carbamimidoyl-2-nitrophenyl) acetate; methanesulfonate Traditional Name: acetic acid (4-amidino-2-nitro-phenyl) ester mesylate Formula: C10H12N3O7S- MolecularWeight: 318.28318

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1)C(=N)N)[N+](=O)[O-].CS(=O)(=O)[O-]

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1)C(=N)N)[N+](=O)[O-].CS(=O)(=O)[O-]

InChI

InChI=1S/C9H9N3O4.CH4O3S/c1-5(13)16-8-3-2-6(9(10)11)4-7(8)12(14)15;1-5(2,3)4/h2-4H,1H3,(H3,10,11);1H3,(H,2,3,4)/p-1