(4-nitrophenyl)methyl 2-(1,3-benzothiazol-2-yl)benzoate

Systemtic Name: (4-nitrophenyl)methyl 2-(1,3-benzothiazol-2-yl)benzoate Openeye Name: (4-nitrophenyl)methyl 2-(1,3-benzothiazol-2-yl)benzoate CAS Name: 2-(1,3-benzothiazol-2-yl)benzoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(1,3-benzothiazol-2-yl)benzoate Traditional Name: 2-(1,3-benzothiazol-2-yl)benzoic acid (4-nitrobenzyl) ester Formula: C21H14N2O4S MolecularWeight: 390.41186

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NC3=CC=CC=C3S2)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C2=NC3=CC=CC=C3S2)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H14N2O4S/c24-21(27-13-14-9-11-15(12-10-14)23(25)26)17-6-2-1-5-16(17)20-22-18-7-3-4-8-19(18)28-20/h1-12H,13H2