[2-(4-nitrophenyl)-2-oxidanylidene-ethyl] 2-(1,3-benzothiazol-2-yl)benzoate

Systemtic Name: [2-(4-nitrophenyl)-2-oxidanylidene-ethyl] 2-(1,3-benzothiazol-2-yl)benzoate Openeye Name: [2-(4-nitrophenyl)-2-oxo-ethyl] 2-(1,3-benzothiazol-2-yl)benzoate CAS Name: 2-(1,3-benzothiazol-2-yl)benzoic acid [2-(4-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-nitrophenyl)-2-oxoethyl] 2-(1,3-benzothiazol-2-yl)benzoate Traditional Name: 2-(1,3-benzothiazol-2-yl)benzoic acid [2-keto-2-(4-nitrophenyl)ethyl] ester Formula: C22H14N2O5S MolecularWeight: 418.42196

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NC3=CC=CC=C3S2)C(=O)OCC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C2=NC3=CC=CC=C3S2)C(=O)OCC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H14N2O5S/c25-19(14-9-11-15(12-10-14)24(27)28)13-29-22(26)17-6-2-1-5-16(17)21-23-18-7-3-4-8-20(18)30-21/h1-12H,13H2