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

Systemtic Name: [2-(1,3-benzoxazol-2-yl)-4-nitro-phenyl] ethanesulfonate Openeye Name: [2-(1,3-benzoxazol-2-yl)-4-nitro-phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [2-(1,3-benzoxazol-2-yl)-4-nitrophenyl] ester IUPAC Name: [2-(1,3-benzoxazol-2-yl)-4-nitrophenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [2-(1,3-benzoxazol-2-yl)-4-nitro-phenyl] ester Formula: C15H12N2O6S MolecularWeight: 348.33058

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=C(C=C(C=C1)[N+](=O)[O-])C2=NC3=CC=CC=C3O2

Isomeric SMILES

CCS(=O)(=O)OC1=C(C=C(C=C1)[N+](=O)[O-])C2=NC3=CC=CC=C3O2

InChI

InChI=1S/C15H12N2O6S/c1-2-24(20,21)23-13-8-7-10(17(18)19)9-11(13)15-16-12-5-3-4-6-14(12)22-15/h3-9H,2H2,1H3