1,3-benzothiazol-2-ylmethyl 3,5-dinitrobenzoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 3,5-dinitrobenzoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C15H9N3O6S MolecularWeight: 359.31346

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)COC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)COC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H9N3O6S/c19-15(9-5-10(17(20)21)7-11(6-9)18(22)23)24-8-14-16-12-3-1-2-4-13(12)25-14/h1-7H,8H2