[(2R)-1-[(4-fluoranyl-3-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-oxidanylbenzoate

Systemtic Name: [(2R)-1-[(4-fluoranyl-3-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-oxidanylbenzoate Openeye Name: [(1R)-2-(4-fluoro-3-nitro-anilino)-1-methyl-2-oxo-ethyl] 4-hydroxybenzoate CAS Name: 4-hydroxybenzoic acid [(2R)-1-(4-fluoro-3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-fluoro-3-nitroanilino)-1-oxopropan-2-yl] 4-hydroxybenzoate Traditional Name: 4-hydroxybenzoic acid [(1R)-2-(4-fluoro-3-nitro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C16H13FN2O6 MolecularWeight: 348.282623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13FN2O6/c1-9(25-16(22)10-2-5-12(20)6-3-10)15(21)18-11-4-7-13(17)14(8-11)19(23)24/h2-9,20H,1H3,(H,18,21)/t9-/m1/s1