[2-[(3-azanyl-3-oxidanylidene-propyl)-(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 2-azanyl-5-bromanyl-benzoate

Systemtic Name: [2-[(3-azanyl-3-oxidanylidene-propyl)-(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 2-azanyl-5-bromanyl-benzoate Openeye Name: [2-(N-(3-amino-3-oxo-propyl)-4-fluoro-anilino)-2-oxo-ethyl] 2-amino-5-bromo-benzoate CAS Name: 2-amino-5-bromobenzoic acid [2-(N-(3-amino-3-oxopropyl)-4-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(N-(3-amino-3-oxopropyl)-4-fluoroanilino)-2-oxoethyl] 2-amino-5-bromobenzoate Traditional Name: 2-amino-5-bromo-benzoic acid [2-(N-(3-amino-3-keto-propyl)-4-fluoro-anilino)-2-keto-ethyl] ester Formula: C18H17BrFN3O4 MolecularWeight: 438.247683

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N(CCC(=O)N)C(=O)COC(=O)C2=C(C=CC(=C2)Br)N)F

Isomeric SMILES

C1=CC(=CC=C1N(CCC(=O)N)C(=O)COC(=O)C2=C(C=CC(=C2)Br)N)F

InChI

InChI=1S/C18H17BrFN3O4/c19-11-1-6-15(21)14(9-11)18(26)27-10-17(25)23(8-7-16(22)24)13-4-2-12(20)3-5-13/h1-6,9H,7-8,10,21H2,(H2,22,24)