[2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(3-nitrophenyl)carbonylamino]ethanoate

Systemtic Name: [2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(3-nitrophenyl)carbonylamino]ethanoate Openeye Name: [2-(4-bromo-2-fluoro-anilino)-2-oxo-ethyl] 2-[(3-nitrobenzoyl)amino]acetate CAS Name: 2-[[(3-nitrophenyl)-oxomethyl]amino]acetic acid [2-(4-bromo-2-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 2-[(3-nitrobenzoyl)amino]acetate Traditional Name: 2-[(3-nitrobenzoyl)amino]acetic acid [2-(4-bromo-2-fluoro-anilino)-2-keto-ethyl] ester Formula: C17H13BrFN3O6 MolecularWeight: 454.204023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13BrFN3O6/c18-11-4-5-14(13(19)7-11)21-15(23)9-28-16(24)8-20-17(25)10-2-1-3-12(6-10)22(26)27/h1-7H,8-9H2,(H,20,25)(H,21,23)