1,3-benzothiazol-2-ylmethyl 2-methoxy-5-nitro-benzoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-methoxy-5-nitro-benzoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-methoxy-5-nitro-benzoate CAS Name: 2-methoxy-5-nitrobenzoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-methoxy-5-nitrobenzoate Traditional Name: 2-methoxy-5-nitro-benzoic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C16H12N2O5S MolecularWeight: 344.34188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12N2O5S/c1-22-13-7-6-10(18(20)21)8-11(13)16(19)23-9-15-17-12-4-2-3-5-14(12)24-15/h2-8H,9H2,1H3