[2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-benzoate

Systemtic Name: [2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-benzoate Openeye Name: [2-(4-bromo-2-fluoro-anilino)-2-oxo-ethyl] 4-(2-amino-2-oxo-ethoxy)-3-methoxy-benzoate CAS Name: 4-(2-amino-2-oxoethoxy)-3-methoxybenzoic acid [2-(4-bromo-2-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 4-(2-amino-2-oxoethoxy)-3-methoxybenzoate Traditional Name: 4-(2-amino-2-keto-ethoxy)-3-methoxy-benzoic acid [2-(4-bromo-2-fluoro-anilino)-2-keto-ethyl] ester Formula: C18H16BrFN2O6 MolecularWeight: 455.231843

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)OCC(=O)NC2=C(C=C(C=C2)Br)F)OCC(=O)N

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OCC(=O)NC2=C(C=C(C=C2)Br)F)OCC(=O)N

InChI

InChI=1S/C18H16BrFN2O6/c1-26-15-6-10(2-5-14(15)27-8-16(21)23)18(25)28-9-17(24)22-13-4-3-11(19)7-12(13)20/h2-7H,8-9H2,1H3,(H2,21,23)(H,22,24)