[2-[(3-chloranyl-4-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-azanyl-5-nitro-benzoate

Systemtic Name: [2-[(3-chloranyl-4-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-azanyl-5-nitro-benzoate Openeye Name: [2-(3-chloro-4-fluoro-anilino)-2-oxo-ethyl] 2-amino-5-nitro-benzoate CAS Name: 2-amino-5-nitrobenzoic acid [2-(3-chloro-4-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 2-amino-5-nitrobenzoate Traditional Name: 2-amino-5-nitro-benzoic acid [2-(3-chloro-4-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=C1NC(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N)Cl)F

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N)Cl)F

InChI

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