methyl 2-(2-ethanoylimino-5-nitro-1,3-benzothiazol-3-yl)ethanoate

Systemtic Name: methyl 2-(2-ethanoylimino-5-nitro-1,3-benzothiazol-3-yl)ethanoate Openeye Name: methyl 2-(2-acetylimino-5-nitro-1,3-benzothiazol-3-yl)acetate CAS Name: 2-(2-acetylimino-5-nitro-1,3-benzothiazol-3-yl)acetic acid methyl ester IUPAC Name: methyl 2-(2-acetylimino-5-nitro-1,3-benzothiazol-3-yl)acetate Traditional Name: 2-(2-acetylimino-5-nitro-1,3-benzothiazol-3-yl)acetic acid methyl ester Formula: C12H11N3O5S MolecularWeight: 309.29784

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N=C1N(C2=C(S1)C=CC(=C2)[N+](=O)[O-])CC(=O)OC

Isomeric SMILES

CC(=O)N=C1N(C2=C(S1)C=CC(=C2)[N+](=O)[O-])CC(=O)OC

InChI

InChI=1S/C12H11N3O5S/c1-7(16)13-12-14(6-11(17)20-2)9-5-8(15(18)19)3-4-10(9)21-12/h3-5H,6H2,1-2H3