[2-[(2-fluoranyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-[(2-methoxyphenyl)amino]propanoate

Systemtic Name: [2-[(2-fluoranyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-[(2-methoxyphenyl)amino]propanoate Openeye Name: [2-(2-fluoro-5-nitro-anilino)-2-oxo-ethyl] 3-(2-methoxyanilino)propanoate CAS Name: 3-(2-methoxyanilino)propanoic acid [2-(2-fluoro-5-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-fluoro-5-nitroanilino)-2-oxoethyl] 3-(2-methoxyanilino)propanoate Traditional Name: 3-(o-anisidino)propionic acid [2-(2-fluoro-5-nitro-anilino)-2-keto-ethyl] ester Formula: C18H18FN3O6 MolecularWeight: 391.350423

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NCCC(=O)OCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])F

Isomeric SMILES

COC1=CC=CC=C1NCCC(=O)OCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])F

InChI

InChI=1S/C18H18FN3O6/c1-27-16-5-3-2-4-14(16)20-9-8-18(24)28-11-17(23)21-15-10-12(22(25)26)6-7-13(15)19/h2-7,10,20H,8-9,11H2,1H3,(H,21,23)