[2-[2-[(4-nitrophenyl)amino]ethylamino]-2-oxidanylidene-ethyl] 4-fluoranylbenzoate

Systemtic Name: [2-[2-[(4-nitrophenyl)amino]ethylamino]-2-oxidanylidene-ethyl] 4-fluoranylbenzoate Openeye Name: [2-[2-(4-nitroanilino)ethylamino]-2-oxo-ethyl] 4-fluorobenzoate CAS Name: 4-fluorobenzoic acid [2-[2-(4-nitroanilino)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-nitroanilino)ethylamino]-2-oxoethyl] 4-fluorobenzoate Traditional Name: 4-fluorobenzoic acid [2-keto-2-[2-(4-nitroanilino)ethylamino]ethyl] ester Formula: C17H16FN3O5 MolecularWeight: 361.324443

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OCC(=O)NCCNC2=CC=C(C=C2)[N+](=O)[O-])F

Isomeric SMILES

C1=CC(=CC=C1C(=O)OCC(=O)NCCNC2=CC=C(C=C2)[N+](=O)[O-])F

InChI

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