[2-[2-(2-fluorophenyl)ethylamino]-2-oxidanylidene-ethyl] 4-azanyl-3-nitro-benzoate

Systemtic Name: [2-[2-(2-fluorophenyl)ethylamino]-2-oxidanylidene-ethyl] 4-azanyl-3-nitro-benzoate Openeye Name: [2-[2-(2-fluorophenyl)ethylamino]-2-oxo-ethyl] 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-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=CC(=C(C=C2)N)[N+](=O)[O-])F

Isomeric SMILES

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

InChI

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