1,3-benzothiazol-2-ylmethyl 4,5-dimethoxy-2-nitro-benzoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 4,5-dimethoxy-2-nitro-benzoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C17H14N2O6S MolecularWeight: 374.36786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OCC2=NC3=CC=CC=C3S2)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OCC2=NC3=CC=CC=C3S2)[N+](=O)[O-])OC

InChI

InChI=1S/C17H14N2O6S/c1-23-13-7-10(12(19(21)22)8-14(13)24-2)17(20)25-9-16-18-11-5-3-4-6-15(11)26-16/h3-8H,9H2,1-2H3