[1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-[(4-fluorophenyl)sulfonyl-methyl-amino]ethanoate

Systemtic Name: [1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-[(4-fluorophenyl)sulfonyl-methyl-amino]ethanoate Openeye Name: [1-methyl-2-(2-nitroanilino)-2-oxo-ethyl] 2-[(4-fluorophenyl)sulfonyl-methyl-amino]acetate CAS Name: 2-[(4-fluorophenyl)sulfonyl-methylamino]acetic acid [1-(2-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-nitroanilino)-1-oxopropan-2-yl] 2-[(4-fluorophenyl)sulfonyl-methylamino]acetate Traditional Name: 2-[(4-fluorophenyl)sulfonyl-methyl-amino]acetic acid [2-keto-1-methyl-2-(2-nitroanilino)ethyl] ester Formula: C18H18FN3O7S MolecularWeight: 439.414823

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18FN3O7S/c1-12(18(24)20-15-5-3-4-6-16(15)22(25)26)29-17(23)11-21(2)30(27,28)14-9-7-13(19)8-10-14/h3-10,12H,11H2,1-2H3,(H,20,24)