(4-carbamimidoyl-2-nitro-phenyl) 1-methylsulfonyloxycyclopropane-1-carboxylate

Systemtic Name: (4-carbamimidoyl-2-nitro-phenyl) 1-methylsulfonyloxycyclopropane-1-carboxylate Openeye Name: (4-carbamimidoyl-2-nitro-phenyl) 1-methylsulfonyloxycyclopropanecarboxylate CAS Name: 1-methylsulfonyloxy-1-cyclopropanecarboxylic acid (4-carbamimidoyl-2-nitrophenyl) ester IUPAC Name: (4-carbamimidoyl-2-nitrophenyl) 1-methylsulfonyloxycyclopropane-1-carboxylate Traditional Name: 1-methylsulfonyloxycyclopropanecarboxylic acid (4-amidino-2-nitro-phenyl) ester Formula: C12H13N3O7S MolecularWeight: 343.31252

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1(CC1)C(=O)OC2=C(C=C(C=C2)C(=N)N)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)OC1(CC1)C(=O)OC2=C(C=C(C=C2)C(=N)N)[N+](=O)[O-]

InChI

InChI=1S/C12H13N3O7S/c1-23(19,20)22-12(4-5-12)11(16)21-9-3-2-7(10(13)14)6-8(9)15(17)18/h2-3,6H,4-5H2,1H3,(H3,13,14)