[2-[(2-fluorophenyl)carbamoylamino]-2-oxidanylidene-ethyl] 4-methylsulfonyl-3-nitro-benzoate

Systemtic Name: [2-[(2-fluorophenyl)carbamoylamino]-2-oxidanylidene-ethyl] 4-methylsulfonyl-3-nitro-benzoate Openeye Name: [2-[(2-fluorophenyl)carbamoylamino]-2-oxo-ethyl] 4-methylsulfonyl-3-nitro-benzoate CAS Name: 4-methylsulfonyl-3-nitrobenzoic acid [2-[[(2-fluoroanilino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 4-methylsulfonyl-3-nitrobenzoate Traditional Name: 4-mesyl-3-nitro-benzoic acid [2-[(2-fluorophenyl)carbamoylamino]-2-keto-ethyl] ester Formula: C17H14FN3O8S MolecularWeight: 439.371763

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)OCC(=O)NC(=O)NC2=CC=CC=C2F)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)OCC(=O)NC(=O)NC2=CC=CC=C2F)[N+](=O)[O-]

InChI

InChI=1S/C17H14FN3O8S/c1-30(27,28)14-7-6-10(8-13(14)21(25)26)16(23)29-9-15(22)20-17(24)19-12-5-3-2-4-11(12)18/h2-8H,9H2,1H3,(H2,19,20,22,24)