1,3-benzothiazol-2-ylmethyl 2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-(5-nitro-1,3-dioxo-isoindolin-2-yl)acetate CAS Name: 2-(5-nitro-1,3-dioxo-2-isoindolyl)acetic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-(5-nitro-1,3-dioxoisoindol-2-yl)acetate Traditional Name: 2-(1,3-diketo-5-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=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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