1,3-benzothiazol-2-ylmethyl 2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-(4-nitro-1,3-dioxo-isoindolin-2-yl)acetate CAS Name: 2-(4-nitro-1,3-dioxo-2-isoindolyl)acetic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-(4-nitro-1,3-dioxoisoindol-2-yl)acetate Traditional Name: 2-(1,3-diketo-4-nitro-isoindolin-2-yl)acetic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C18H11N3O6S MolecularWeight: 397.36144

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)COC(=O)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)COC(=O)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H11N3O6S/c22-15(27-9-14-19-11-5-1-2-7-13(11)28-14)8-20-17(23)10-4-3-6-12(21(25)26)16(10)18(20)24/h1-7H,8-9H2