methyl 5-[[4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-2,5-bis(oxidanylidene)imidazolidin-1-yl]methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-2,5-bis(oxidanylidene)imidazolidin-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-[(6-nitro-1,3-benzodioxol-5-yl)methylene]-2,5-dioxo-imidazolidin-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-2,5-dioxo-1-imidazolidinyl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[2,5-diketo-4-[(6-nitro-1,3-benzodioxol-5-yl)methylene]imidazolidin-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C18H13N3O9 MolecularWeight: 415.31052

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CN2C(=O)C(=CC3=CC4=C(C=C3[N+](=O)[O-])OCO4)NC2=O

Isomeric SMILES

COC(=O)C1=CC=C(O1)CN2C(=O)C(=CC3=CC4=C(C=C3[N+](=O)[O-])OCO4)NC2=O

InChI

InChI=1S/C18H13N3O9/c1-27-17(23)13-3-2-10(30-13)7-20-16(22)11(19-18(20)24)4-9-5-14-15(29-8-28-14)6-12(9)21(25)26/h2-6H,7-8H2,1H3,(H,19,24)