[2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 2-(1,3-benzoxazol-2-yl)benzoate

Systemtic Name: [2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 2-(1,3-benzoxazol-2-yl)benzoate Openeye Name: [2-(3-nitrophenyl)-2-oxo-ethyl] 2-(1,3-benzoxazol-2-yl)benzoate CAS Name: 2-(1,3-benzoxazol-2-yl)benzoic acid [2-(3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-nitrophenyl)-2-oxoethyl] 2-(1,3-benzoxazol-2-yl)benzoate Traditional Name: 2-(1,3-benzoxazol-2-yl)benzoic acid [2-keto-2-(3-nitrophenyl)ethyl] ester Formula: C22H14N2O6 MolecularWeight: 402.35636

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NC3=CC=CC=C3O2)C(=O)OCC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C2=NC3=CC=CC=C3O2)C(=O)OCC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H14N2O6/c25-19(14-6-5-7-15(12-14)24(27)28)13-29-22(26)17-9-2-1-8-16(17)21-23-18-10-3-4-11-20(18)30-21/h1-12H,13H2