[2-[(2-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] 3-nitrobenzoate

Systemtic Name: [2-[(2-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] 3-nitrobenzoate Openeye Name: [2-[(2-fluorophenyl)methylamino]-2-oxo-ethyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-[(2-fluorobenzyl)amino]-2-keto-ethyl] ester Formula: C16H13FN2O5 MolecularWeight: 332.283223

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13FN2O5/c17-14-7-2-1-4-12(14)9-18-15(20)10-24-16(21)11-5-3-6-13(8-11)19(22)23/h1-8H,9-10H2,(H,18,20)