[2-[(4-fluoranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-(prop-2-ynylsulfamoyl)benzoate

Systemtic Name: [2-[(4-fluoranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-(prop-2-ynylsulfamoyl)benzoate Openeye Name: [2-(4-fluoro-3-nitro-anilino)-2-oxo-ethyl] 4-(prop-2-ynylsulfamoyl)benzoate CAS Name: 4-(prop-2-ynylsulfamoyl)benzoic acid [2-(4-fluoro-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-fluoro-3-nitroanilino)-2-oxoethyl] 4-(prop-2-ynylsulfamoyl)benzoate Traditional Name: 4-(propargylsulfamoyl)benzoic acid [2-(4-fluoro-3-nitro-anilino)-2-keto-ethyl] ester Formula: C18H14FN3O7S MolecularWeight: 435.383063

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNS(=O)(=O)C1=CC=C(C=C1)C(=O)OCC(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-]

Isomeric SMILES

C#CCNS(=O)(=O)C1=CC=C(C=C1)C(=O)OCC(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-]

InChI

InChI=1S/C18H14FN3O7S/c1-2-9-20-30(27,28)14-6-3-12(4-7-14)18(24)29-11-17(23)21-13-5-8-15(19)16(10-13)22(25)26/h1,3-8,10,20H,9,11H2,(H,21,23)