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

Systemtic Name: [2-[(4-fluoranyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(2-hydroxyethylamino)-5-nitro-benzoate Openeye Name: [2-(4-fluoro-2-nitro-anilino)-2-oxo-ethyl] 2-(2-hydroxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-hydroxyethylamino)-5-nitrobenzoic acid [2-(4-fluoro-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-fluoro-2-nitroanilino)-2-oxoethyl] 2-(2-hydroxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-hydroxyethylamino)-5-nitro-benzoic acid [2-(4-fluoro-2-nitro-anilino)-2-keto-ethyl] ester Formula: C17H15FN4O8 MolecularWeight: 422.321403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15FN4O8/c18-10-1-3-14(15(7-10)22(28)29)20-16(24)9-30-17(25)12-8-11(21(26)27)2-4-13(12)19-5-6-23/h1-4,7-8,19,23H,5-6,9H2,(H,20,24)