(3,4-dinitrophenyl) 2-(2-oxidanylidene-1,3-benzothiazol-3-yl)ethanoate

Systemtic Name: (3,4-dinitrophenyl) 2-(2-oxidanylidene-1,3-benzothiazol-3-yl)ethanoate Openeye Name: (3,4-dinitrophenyl) 2-(2-oxo-1,3-benzothiazol-3-yl)acetate CAS Name: 2-(2-oxo-1,3-benzothiazol-3-yl)acetic acid (3,4-dinitrophenyl) ester IUPAC Name: (3,4-dinitrophenyl) 2-(2-oxo-1,3-benzothiazol-3-yl)acetate Traditional Name: 2-(2-keto-1,3-benzothiazol-3-yl)acetic acid (3,4-dinitrophenyl) ester Formula: C15H9N3O7S MolecularWeight: 375.31286

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C(=O)S2)CC(=O)OC3=CC(=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N(C(=O)S2)CC(=O)OC3=CC(=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H9N3O7S/c19-14(8-16-11-3-1-2-4-13(11)26-15(16)20)25-9-5-6-10(17(21)22)12(7-9)18(23)24/h1-7H,8H2