methyl (2R)-4-(4-fluoranyl-3-nitro-phenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylate

Systemtic Name: methyl (2R)-4-(4-fluoranyl-3-nitro-phenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylate Openeye Name: methyl (2R)-4-(4-fluoro-3-nitro-phenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylate CAS Name: (2R)-4-(4-fluoro-3-nitrophenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid methyl ester IUPAC Name: methyl (2R)-4-(4-fluoro-3-nitrophenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylate Traditional Name: (2R)-4-(4-fluoro-3-nitro-phenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid methyl ester Formula: C16H13FN2O7S MolecularWeight: 396.347023

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(C2=CC=CC=C2O1)S(=O)(=O)C3=CC(=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

COC(=O)[C@H]1CN(C2=CC=CC=C2O1)S(=O)(=O)C3=CC(=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C16H13FN2O7S/c1-25-16(20)15-9-18(12-4-2-3-5-14(12)26-15)27(23,24)10-6-7-11(17)13(8-10)19(21)22/h2-8,15H,9H2,1H3/t15-/m1/s1