methyl 4-[(2R)-1-[(4-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl]oxy-3-nitro-benzoate

Systemtic Name: methyl 4-[(2R)-1-[(4-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl]oxy-3-nitro-benzoate Openeye Name: methyl 4-[(1R)-2-(4-fluoroanilino)-1-methyl-2-oxo-ethoxy]-3-nitro-benzoate CAS Name: 4-[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl]oxy-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl]oxy-3-nitrobenzoate Traditional Name: 4-[(1R)-2-(4-fluoroanilino)-2-keto-1-methyl-ethoxy]-3-nitro-benzoic acid methyl ester Formula: C17H15FN2O6 MolecularWeight: 362.309203

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)F)OC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)F)OC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C17H15FN2O6/c1-10(16(21)19-13-6-4-12(18)5-7-13)26-15-8-3-11(17(22)25-2)9-14(15)20(23)24/h3-10H,1-2H3,(H,19,21)/t10-/m1/s1