methyl 2-[4,6-dinitro-1,3-bis(oxidanylidene)-1,2-benzothiazol-2-yl]ethanoate

Systemtic Name: methyl 2-[4,6-dinitro-1,3-bis(oxidanylidene)-1,2-benzothiazol-2-yl]ethanoate Openeye Name: methyl 2-(4,6-dinitro-1,3-dioxo-1,2-benzothiazol-2-yl)acetate CAS Name: 2-(4,6-dinitro-1,3-dioxo-1,2-benzothiazol-2-yl)acetic acid methyl ester IUPAC Name: methyl 2-(4,6-dinitro-1,3-dioxo-1,2-benzothiazol-2-yl)acetate Traditional Name: 2-(1,3-diketo-4,6-dinitro-1,2-benzothiazol-2-yl)acetic acid methyl ester Formula: C10H7N3O8S MolecularWeight: 329.24288

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C(=O)C2=C(C=C(C=C2S1=O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC(=O)CN1C(=O)C2=C(C=C(C=C2S1=O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C10H7N3O8S/c1-21-8(14)4-11-10(15)9-6(13(18)19)2-5(12(16)17)3-7(9)22(11)20/h2-3H,4H2,1H3