[2-[(4-chloranyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-azanyl-3-nitro-benzoate

Systemtic Name: [2-[(4-chloranyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-azanyl-3-nitro-benzoate Openeye Name: [2-(4-chloro-2-fluoro-anilino)-2-oxo-ethyl] 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid [2-(4-chloro-2-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid [2-(4-chloro-2-fluoro-anilino)-2-keto-ethyl] ester Formula: C15H11ClFN3O5 MolecularWeight: 367.716343

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)OCC(=O)NC2=C(C=C(C=C2)Cl)F)[N+](=O)[O-])N

Isomeric SMILES

C1=CC(=C(C=C1C(=O)OCC(=O)NC2=C(C=C(C=C2)Cl)F)[N+](=O)[O-])N

InChI

InChI=1S/C15H11ClFN3O5/c16-9-2-4-12(10(17)6-9)19-14(21)7-25-15(22)8-1-3-11(18)13(5-8)20(23)24/h1-6H,7,18H2,(H,19,21)