[2-[(3-chloranyl-4-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(2-hydroxyethylamino)-5-nitro-benzoate

Systemtic Name: [2-[(3-chloranyl-4-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(2-hydroxyethylamino)-5-nitro-benzoate Openeye Name: [2-(3-chloro-4-fluoro-anilino)-2-oxo-ethyl] 2-(2-hydroxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-hydroxyethylamino)-5-nitrobenzoic acid [2-(3-chloro-4-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 2-(2-hydroxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-hydroxyethylamino)-5-nitro-benzoic acid [2-(3-chloro-4-fluoro-anilino)-2-keto-ethyl] ester Formula: C17H15ClFN3O6 MolecularWeight: 411.768903

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCO)Cl)F

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCO)Cl)F

InChI

InChI=1S/C17H15ClFN3O6/c18-13-7-10(1-3-14(13)19)21-16(24)9-28-17(25)12-8-11(22(26)27)2-4-15(12)20-5-6-23/h1-4,7-8,20,23H,5-6,9H2,(H,21,24)