[2-(methylsulfonyloxymethyl)-4-nitro-phenyl] (Z)-2-azanyloxy-3-phenyl-prop-2-enoate

Systemtic Name: [2-(methylsulfonyloxymethyl)-4-nitro-phenyl] (Z)-2-azanyloxy-3-phenyl-prop-2-enoate Openeye Name: [2-(methylsulfonyloxymethyl)-4-nitro-phenyl] (Z)-2-aminooxy-3-phenyl-prop-2-enoate CAS Name: (Z)-2-aminooxy-3-phenyl-2-propenoic acid [2-(methylsulfonyloxymethyl)-4-nitrophenyl] ester IUPAC Name: [2-(methylsulfonyloxymethyl)-4-nitrophenyl] (Z)-2-aminooxy-3-phenylprop-2-enoate Traditional Name: (Z)-2-aminooxy-3-phenyl-acrylic acid [2-(methylsulfonyloxymethyl)-4-nitro-phenyl] ester Formula: C17H16N2O8S MolecularWeight: 408.38254

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCC1=C(C=CC(=C1)[N+](=O)[O-])OC(=O)C(=CC2=CC=CC=C2)ON

Isomeric SMILES

CS(=O)(=O)OCC1=C(C=CC(=C1)[N+](=O)[O-])OC(=O)/C(=C/C2=CC=CC=C2)/ON

InChI

InChI=1S/C17H16N2O8S/c1-28(23,24)25-11-13-10-14(19(21)22)7-8-15(13)26-17(20)16(27-18)9-12-5-3-2-4-6-12/h2-10H,11,18H2,1H3/b16-9-