ethyl 4-(5-nitro-3-oxidanylidene-1,2-benzothiazol-2-yl)butanoate

Systemtic Name: ethyl 4-(5-nitro-3-oxidanylidene-1,2-benzothiazol-2-yl)butanoate Openeye Name: ethyl 4-(5-nitro-3-oxo-1,2-benzothiazol-2-yl)butanoate CAS Name: 4-(5-nitro-3-oxo-1,2-benzothiazol-2-yl)butanoic acid ethyl ester IUPAC Name: ethyl 4-(5-nitro-3-oxo-1,2-benzothiazol-2-yl)butanoate Traditional Name: 4-(3-keto-5-nitro-1,2-benzothiazol-2-yl)butyric acid ethyl ester Formula: C13H14N2O5S MolecularWeight: 310.32566

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCN1C(=O)C2=C(S1)C=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CCCN1C(=O)C2=C(S1)C=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H14N2O5S/c1-2-20-12(16)4-3-7-14-13(17)10-8-9(15(18)19)5-6-11(10)21-14/h5-6,8H,2-4,7H2,1H3