ethyl 2-(1,3-benzodioxol-5-yl)-5-(1,3-dithiolan-2-ylidene)-1-nitro-4-oxidanylidene-cyclohexane-1-carboxylate

Systemtic Name: ethyl 2-(1,3-benzodioxol-5-yl)-5-(1,3-dithiolan-2-ylidene)-1-nitro-4-oxidanylidene-cyclohexane-1-carboxylate Openeye Name: ethyl 2-(1,3-benzodioxol-5-yl)-5-(1,3-dithiolan-2-ylidene)-1-nitro-4-oxo-cyclohexanecarboxylate CAS Name: 2-(1,3-benzodioxol-5-yl)-5-(1,3-dithiolan-2-ylidene)-1-nitro-4-oxo-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(1,3-benzodioxol-5-yl)-5-(1,3-dithiolan-2-ylidene)-1-nitro-4-oxocyclohexane-1-carboxylate Traditional Name: 2-(1,3-benzodioxol-5-yl)-5-(1,3-dithiolan-2-ylidene)-4-keto-1-nitro-cyclohexanecarboxylic acid ethyl ester Formula: C19H19NO7S2 MolecularWeight: 437.48666

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC(=C2SCCS2)C(=O)CC1C3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1(CC(=C2SCCS2)C(=O)CC1C3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

InChI

InChI=1S/C19H19NO7S2/c1-2-25-18(22)19(20(23)24)9-12(17-28-5-6-29-17)14(21)8-13(19)11-3-4-15-16(7-11)27-10-26-15/h3-4,7,13H,2,5-6,8-10H2,1H3