[1-[(4-bromanyl-2-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-[(3-methyl-4-nitro-phenyl)carbonylamino]ethanoate

Systemtic Name: [1-[(4-bromanyl-2-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-[(3-methyl-4-nitro-phenyl)carbonylamino]ethanoate Openeye Name: [2-(4-bromo-2-fluoro-anilino)-1-methyl-2-oxo-ethyl] 2-[(3-methyl-4-nitro-benzoyl)amino]acetate CAS Name: 2-[[(3-methyl-4-nitrophenyl)-oxomethyl]amino]acetic acid [1-(4-bromo-2-fluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-bromo-2-fluoroanilino)-1-oxopropan-2-yl] 2-[(3-methyl-4-nitrobenzoyl)amino]acetate Traditional Name: 2-[(3-methyl-4-nitro-benzoyl)amino]acetic acid [2-(4-bromo-2-fluoro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C19H17BrFN3O6 MolecularWeight: 482.257183

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NCC(=O)OC(C)C(=O)NC2=C(C=C(C=C2)Br)F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NCC(=O)OC(C)C(=O)NC2=C(C=C(C=C2)Br)F)[N+](=O)[O-]

InChI

InChI=1S/C19H17BrFN3O6/c1-10-7-12(3-6-16(10)24(28)29)19(27)22-9-17(25)30-11(2)18(26)23-15-5-4-13(20)8-14(15)21/h3-8,11H,9H2,1-2H3,(H,22,27)(H,23,26)