methyl 4-[[1-[2-(4-nitrophenyl)ethyl]-2,5-bis(oxidanylidene)imidazolidin-4-yl]methyl]benzoate

Systemtic Name: methyl 4-[[1-[2-(4-nitrophenyl)ethyl]-2,5-bis(oxidanylidene)imidazolidin-4-yl]methyl]benzoate Openeye Name: methyl 4-[[1-[2-(4-nitrophenyl)ethyl]-2,5-dioxo-imidazolidin-4-yl]methyl]benzoate CAS Name: 4-[[1-[2-(4-nitrophenyl)ethyl]-2,5-dioxo-4-imidazolidinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[1-[2-(4-nitrophenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]methyl]benzoate Traditional Name: 4-[[2,5-diketo-1-[2-(4-nitrophenyl)ethyl]imidazolidin-4-yl]methyl]benzoic acid methyl ester Formula: C20H19N3O6 MolecularWeight: 397.38136

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CC2C(=O)N(C(=O)N2)CCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CC2C(=O)N(C(=O)N2)CCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O6/c1-29-19(25)15-6-2-14(3-7-15)12-17-18(24)22(20(26)21-17)11-10-13-4-8-16(9-5-13)23(27)28/h2-9,17H,10-12H2,1H3,(H,21,26)