[2-[2-(4-fluorophenyl)ethylamino]-2-oxidanylidene-ethyl] 2-chloranyl-4-nitro-benzoate

Systemtic Name: [2-[2-(4-fluorophenyl)ethylamino]-2-oxidanylidene-ethyl] 2-chloranyl-4-nitro-benzoate Openeye Name: [2-[2-(4-fluorophenyl)ethylamino]-2-oxo-ethyl] 2-chloro-4-nitro-benzoate CAS Name: 2-chloro-4-nitrobenzoic acid [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-chloro-4-nitrobenzoate Traditional Name: 2-chloro-4-nitro-benzoic acid [2-[2-(4-fluorophenyl)ethylamino]-2-keto-ethyl] ester Formula: C17H14ClFN2O5 MolecularWeight: 380.754863

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCNC(=O)COC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)F

Isomeric SMILES

C1=CC(=CC=C1CCNC(=O)COC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)F

InChI

InChI=1S/C17H14ClFN2O5/c18-15-9-13(21(24)25)5-6-14(15)17(23)26-10-16(22)20-8-7-11-1-3-12(19)4-2-11/h1-6,9H,7-8,10H2,(H,20,22)