(5-nitrothiophen-3-yl)methyl 3-[[2,5-bis(oxidanylidene)imidazolidin-1-yl]methyl]benzoate

Systemtic Name: (5-nitrothiophen-3-yl)methyl 3-[[2,5-bis(oxidanylidene)imidazolidin-1-yl]methyl]benzoate Openeye Name: (5-nitro-3-thienyl)methyl 3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate CAS Name: 3-[(2,5-dioxo-1-imidazolidinyl)methyl]benzoic acid (5-nitro-3-thiophenyl)methyl ester IUPAC Name: (5-nitrothiophen-3-yl)methyl 3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate Traditional Name: 3-[(2,5-diketoimidazolidin-1-yl)methyl]benzoic acid (5-nitro-3-thienyl)methyl ester Formula: C16H13N3O6S MolecularWeight: 375.35592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C(=O)N1)CC2=CC=CC(=C2)C(=O)OCC3=CSC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1C(=O)N(C(=O)N1)CC2=CC=CC(=C2)C(=O)OCC3=CSC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O6S/c20-13-6-17-16(22)18(13)7-10-2-1-3-12(4-10)15(21)25-8-11-5-14(19(23)24)26-9-11/h1-5,9H,6-8H2,(H,17,22)