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

Systemtic Name: [(2R)-1-[(4-fluoranyl-3-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-oxidanylidenechromene-2-carboxylate Openeye Name: [(1R)-2-(4-fluoro-3-nitro-anilino)-1-methyl-2-oxo-ethyl] 4-oxochromene-2-carboxylate CAS Name: 4-oxo-1-benzopyran-2-carboxylic 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-oxochromene-2-carboxylate Traditional Name: 4-ketochromene-2-carboxylic acid [(1R)-2-(4-fluoro-3-nitro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C19H13FN2O7 MolecularWeight: 400.314123

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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(=O)C3=CC=CC=C3O2

Isomeric SMILES

C[C@H](C(=O)NC1=CC(=C(C=C1)F)[N+](=O)[O-])OC(=O)C2=CC(=O)C3=CC=CC=C3O2

InChI

InChI=1S/C19H13FN2O7/c1-10(18(24)21-11-6-7-13(20)14(8-11)22(26)27)28-19(25)17-9-15(23)12-4-2-3-5-16(12)29-17/h2-10H,1H3,(H,21,24)/t10-/m1/s1