diethyl 2-(6-nitro-3-oxidanylidene-1,2-benzothiazol-2-yl)pentanedioate

Systemtic Name: diethyl 2-(6-nitro-3-oxidanylidene-1,2-benzothiazol-2-yl)pentanedioate Openeye Name: diethyl 2-(6-nitro-3-oxo-1,2-benzothiazol-2-yl)pentanedioate CAS Name: 2-(6-nitro-3-oxo-1,2-benzothiazol-2-yl)pentanedioic acid diethyl ester IUPAC Name: diethyl 2-(6-nitro-3-oxo-1,2-benzothiazol-2-yl)pentanedioate Traditional Name: 2-(3-keto-6-nitro-1,2-benzothiazol-2-yl)glutaric acid diethyl ester Formula: C16H18N2O7S MolecularWeight: 382.38832

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C(=O)OCC)N1C(=O)C2=C(S1)C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CCC(C(=O)OCC)N1C(=O)C2=C(S1)C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H18N2O7S/c1-3-24-14(19)8-7-12(16(21)25-4-2)17-15(20)11-6-5-10(18(22)23)9-13(11)26-17/h5-6,9,12H,3-4,7-8H2,1-2H3