[2-[(4-fluoranyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]ethanoate

Systemtic Name: [2-[(4-fluoranyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]ethanoate Openeye Name: [2-(4-fluoro-2-nitro-anilino)-2-oxo-ethyl] 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]acetate CAS Name: 2-[(4-acetamidophenyl)sulfonyl-methylamino]acetic acid [2-(4-fluoro-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-fluoro-2-nitroanilino)-2-oxoethyl] 2-[(4-acetamidophenyl)sulfonyl-methylamino]acetate Traditional Name: 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]acetic acid [2-(4-fluoro-2-nitro-anilino)-2-keto-ethyl] ester Formula: C19H19FN4O8S MolecularWeight: 482.439563

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)OCC(=O)NC2=C(C=C(C=C2)F)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)OCC(=O)NC2=C(C=C(C=C2)F)[N+](=O)[O-]

InChI

InChI=1S/C19H19FN4O8S/c1-12(25)21-14-4-6-15(7-5-14)33(30,31)23(2)10-19(27)32-11-18(26)22-16-8-3-13(20)9-17(16)24(28)29/h3-9H,10-11H2,1-2H3,(H,21,25)(H,22,26)