[2-[2-[(4-nitrophenyl)amino]ethylamino]-2-oxidanylidene-ethyl] 5-fluoranyl-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [2-[2-[(4-nitrophenyl)amino]ethylamino]-2-oxidanylidene-ethyl] 5-fluoranyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: [2-[2-(4-nitroanilino)ethylamino]-2-oxo-ethyl] 5-fluoro-3-methyl-benzofuran-2-carboxylate CAS Name: 5-fluoro-3-methyl-2-benzofurancarboxylic acid [2-[2-(4-nitroanilino)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-nitroanilino)ethylamino]-2-oxoethyl] 5-fluoro-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-fluoro-3-methyl-coumarilic acid [2-keto-2-[2-(4-nitroanilino)ethylamino]ethyl] ester Formula: C20H18FN3O6 MolecularWeight: 415.371823

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)F)C(=O)OCC(=O)NCCNC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)F)C(=O)OCC(=O)NCCNC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H18FN3O6/c1-12-16-10-13(21)2-7-17(16)30-19(12)20(26)29-11-18(25)23-9-8-22-14-3-5-15(6-4-14)24(27)28/h2-7,10,22H,8-9,11H2,1H3,(H,23,25)