(5-nitro-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methyl 4-methylbenzenesulfonate

Systemtic Name: (5-nitro-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methyl 4-methylbenzenesulfonate Openeye Name: (5-nitro-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (5-nitro-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methyl ester IUPAC Name: (5-nitro-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (5-nitro-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methyl ester Formula: C16H16N2O6S MolecularWeight: 364.37304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2COC3=CC=CC(=C3N2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2COC3=CC=CC(=C3N2)[N+](=O)[O-]

InChI

InChI=1S/C16H16N2O6S/c1-11-5-7-13(8-6-11)25(21,22)24-10-12-9-23-15-4-2-3-14(18(19)20)16(15)17-12/h2-8,12,17H,9-10H2,1H3