cyanomethyl 2-[[4-(methylamino)-3-nitro-phenyl]sulfonylamino]ethanoate

Systemtic Name: cyanomethyl 2-[[4-(methylamino)-3-nitro-phenyl]sulfonylamino]ethanoate Openeye Name: cyanomethyl 2-[[4-(methylamino)-3-nitro-phenyl]sulfonylamino]acetate CAS Name: 2-[[4-(methylamino)-3-nitrophenyl]sulfonylamino]acetic acid cyanomethyl ester IUPAC Name: cyanomethyl 2-[[4-(methylamino)-3-nitrophenyl]sulfonylamino]acetate Traditional Name: 2-[[4-(methylamino)-3-nitro-phenyl]sulfonylamino]acetic acid cyanomethyl ester Formula: C11H12N4O6S MolecularWeight: 328.30118

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC#N)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC#N)[N+](=O)[O-]

InChI

InChI=1S/C11H12N4O6S/c1-13-9-3-2-8(6-10(9)15(17)18)22(19,20)14-7-11(16)21-5-4-12/h2-3,6,13-14H,5,7H2,1H3