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

Systemtic Name: methyl 2-(5-nitro-1,2-benzothiazol-3-yl)propanoate Openeye Name: methyl 2-(5-nitro-1,2-benzothiazol-3-yl)propanoate CAS Name: 2-(5-nitro-1,2-benzothiazol-3-yl)propanoic acid methyl ester IUPAC Name: methyl 2-(5-nitro-1,2-benzothiazol-3-yl)propanoate Traditional Name: 2-(5-nitro-1,2-benzothiazol-3-yl)propionic acid methyl ester Formula: C11H10N2O4S MolecularWeight: 266.2731

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NSC2=C1C=C(C=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC(C1=NSC2=C1C=C(C=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C11H10N2O4S/c1-6(11(14)17-2)10-8-5-7(13(15)16)3-4-9(8)18-12-10/h3-6H,1-2H3