methyl 4-[2-(6-nitro-1,3-benzodioxol-5-yl)-4-oxidanylidene-1,3-thiazolidin-3-yl]benzoate

Systemtic Name: methyl 4-[2-(6-nitro-1,3-benzodioxol-5-yl)-4-oxidanylidene-1,3-thiazolidin-3-yl]benzoate Openeye Name: methyl 4-[2-(6-nitro-1,3-benzodioxol-5-yl)-4-oxo-thiazolidin-3-yl]benzoate CAS Name: 4-[2-(6-nitro-1,3-benzodioxol-5-yl)-4-oxo-3-thiazolidinyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(6-nitro-1,3-benzodioxol-5-yl)-4-oxo-1,3-thiazolidin-3-yl]benzoate Traditional Name: 4-[4-keto-2-(6-nitro-1,3-benzodioxol-5-yl)thiazolidin-3-yl]benzoic acid methyl ester Formula: C18H14N2O7S MolecularWeight: 402.37796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)N2C(SCC2=O)C3=CC4=C(C=C3[N+](=O)[O-])OCO4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)N2C(SCC2=O)C3=CC4=C(C=C3[N+](=O)[O-])OCO4

InChI

InChI=1S/C18H14N2O7S/c1-25-18(22)10-2-4-11(5-3-10)19-16(21)8-28-17(19)12-6-14-15(27-9-26-14)7-13(12)20(23)24/h2-7,17H,8-9H2,1H3