[2-(1,3-benzothiazol-2-yl)phenyl] 3-nitrobenzoate

Systemtic Name: [2-(1,3-benzothiazol-2-yl)phenyl] 3-nitrobenzoate Openeye Name: [2-(1,3-benzothiazol-2-yl)phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-(1,3-benzothiazol-2-yl)phenyl] ester IUPAC Name: [2-(1,3-benzothiazol-2-yl)phenyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-(1,3-benzothiazol-2-yl)phenyl] ester Formula: C20H12N2O4S MolecularWeight: 376.38528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H12N2O4S/c23-20(13-6-5-7-14(12-13)22(24)25)26-17-10-3-1-8-15(17)19-21-16-9-2-4-11-18(16)27-19/h1-12H