[2-(1,3-benzoxazol-2-yl)-4-nitro-phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2-(1,3-benzoxazol-2-yl)-4-nitro-phenyl] 4-methylbenzenesulfonate Openeye Name: [2-(1,3-benzoxazol-2-yl)-4-nitro-phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(1,3-benzoxazol-2-yl)-4-nitrophenyl] ester IUPAC Name: [2-(1,3-benzoxazol-2-yl)-4-nitrophenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(1,3-benzoxazol-2-yl)-4-nitro-phenyl] ester Formula: C20H14N2O6S MolecularWeight: 410.39996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)[N+](=O)[O-])C3=NC4=CC=CC=C4O3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)[N+](=O)[O-])C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C20H14N2O6S/c1-13-6-9-15(10-7-13)29(25,26)28-18-11-8-14(22(23)24)12-16(18)20-21-17-4-2-3-5-19(17)27-20/h2-12H,1H3