[2-[2-(2-fluorophenyl)ethylamino]-2-oxidanylidene-ethyl] 2-azanyl-5-nitro-benzoate

Systemtic Name: [2-[2-(2-fluorophenyl)ethylamino]-2-oxidanylidene-ethyl] 2-azanyl-5-nitro-benzoate Openeye Name: [2-[2-(2-fluorophenyl)ethylamino]-2-oxo-ethyl] 2-amino-5-nitro-benzoate CAS Name: 2-amino-5-nitrobenzoic acid [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 2-amino-5-nitrobenzoate Traditional Name: 2-amino-5-nitro-benzoic acid [2-[2-(2-fluorophenyl)ethylamino]-2-keto-ethyl] ester Formula: C17H16FN3O5 MolecularWeight: 361.324443

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16FN3O5/c18-14-4-2-1-3-11(14)7-8-20-16(22)10-26-17(23)13-9-12(21(24)25)5-6-15(13)19/h1-6,9H,7-8,10,19H2,(H,20,22)