[1-[(2-chloranyl-4-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(2-hydroxyethylamino)-5-nitro-benzoate

Systemtic Name: [1-[(2-chloranyl-4-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(2-hydroxyethylamino)-5-nitro-benzoate Openeye Name: [2-(2-chloro-4-fluoro-anilino)-1-methyl-2-oxo-ethyl] 2-(2-hydroxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-hydroxyethylamino)-5-nitrobenzoic acid [1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 2-(2-hydroxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-hydroxyethylamino)-5-nitro-benzoic acid [2-(2-chloro-4-fluoro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C18H17ClFN3O6 MolecularWeight: 425.795483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClFN3O6/c1-10(17(25)22-16-4-2-11(20)8-14(16)19)29-18(26)13-9-12(23(27)28)3-5-15(13)21-6-7-24/h2-5,8-10,21,24H,6-7H2,1H3,(H,22,25)