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

Systemtic Name: methyl 2-(5-nitro-1,2-benzothiazol-3-yl)ethanoate Openeye Name: methyl 2-(5-nitro-1,2-benzothiazol-3-yl)acetate CAS Name: 2-(5-nitro-1,2-benzothiazol-3-yl)acetic acid methyl ester IUPAC Name: methyl 2-(5-nitro-1,2-benzothiazol-3-yl)acetate Traditional Name: 2-(5-nitro-1,2-benzothiazol-3-yl)acetic acid methyl ester Formula: C10H8N2O4S MolecularWeight: 252.24652

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=NSC2=C1C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CC1=NSC2=C1C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C10H8N2O4S/c1-16-10(13)5-8-7-4-6(12(14)15)2-3-9(7)17-11-8/h2-4H,5H2,1H3