[2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] 4,5-dimethoxy-2-nitro-benzoate

Systemtic Name: [2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] 4,5-dimethoxy-2-nitro-benzoate Openeye Name: [2-[(4-fluorophenyl)methylamino]-2-oxo-ethyl] 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid [2-[(4-fluorobenzyl)amino]-2-keto-ethyl] ester Formula: C18H17FN2O7 MolecularWeight: 392.335183

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OCC(=O)NCC2=CC=C(C=C2)F)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OCC(=O)NCC2=CC=C(C=C2)F)[N+](=O)[O-])OC

InChI

InChI=1S/C18H17FN2O7/c1-26-15-7-13(14(21(24)25)8-16(15)27-2)18(23)28-10-17(22)20-9-11-3-5-12(19)6-4-11/h3-8H,9-10H2,1-2H3,(H,20,22)