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

Systemtic Name: methyl (2R)-4-(4-methylsulfonyl-2-nitro-phenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylate Openeye Name: methyl (2R)-4-(4-methylsulfonyl-2-nitro-phenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylate CAS Name: (2R)-4-(4-methylsulfonyl-2-nitrophenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid methyl ester IUPAC Name: methyl (2R)-4-(4-methylsulfonyl-2-nitrophenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylate Traditional Name: (2R)-4-(4-mesyl-2-nitro-phenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid methyl ester Formula: C17H16N2O7S MolecularWeight: 392.38314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O7S/c1-25-17(20)16-10-18(13-5-3-4-6-15(13)26-16)12-8-7-11(27(2,23)24)9-14(12)19(21)22/h3-9,16H,10H2,1-2H3/t16-/m1/s1