1,3-benzothiazol-2-ylmethyl 2,4-dinitrobenzoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2,4-dinitrobenzoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2,4-dinitrobenzoate CAS Name: 2,4-dinitrobenzoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2,4-dinitrobenzoate Traditional Name: 2,4-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=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

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