[4-(1,3-benzothiazol-2-yl)phenyl] 2-(2-nitrophenoxy)ethanoate

Systemtic Name: [4-(1,3-benzothiazol-2-yl)phenyl] 2-(2-nitrophenoxy)ethanoate Openeye Name: [4-(1,3-benzothiazol-2-yl)phenyl] 2-(2-nitrophenoxy)acetate CAS Name: 2-(2-nitrophenoxy)acetic acid [4-(1,3-benzothiazol-2-yl)phenyl] ester IUPAC Name: [4-(1,3-benzothiazol-2-yl)phenyl] 2-(2-nitrophenoxy)acetate Traditional Name: 2-(2-nitrophenoxy)acetic acid [4-(1,3-benzothiazol-2-yl)phenyl] ester Formula: C21H14N2O5S MolecularWeight: 406.41126

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)OC(=O)COC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)OC(=O)COC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C21H14N2O5S/c24-20(13-27-18-7-3-2-6-17(18)23(25)26)28-15-11-9-14(10-12-15)21-22-16-5-1-4-8-19(16)29-21/h1-12H,13H2