[1-oxidanylidene-1-(2-oxidanylideneimidazolidin-1-yl)propan-2-yl] 4-ethoxy-3-nitro-benzoate

Systemtic Name: [1-oxidanylidene-1-(2-oxidanylideneimidazolidin-1-yl)propan-2-yl] 4-ethoxy-3-nitro-benzoate Openeye Name: [1-methyl-2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-ethoxy-3-nitro-benzoate CAS Name: 4-ethoxy-3-nitrobenzoic acid [1-oxo-1-(2-oxo-1-imidazolidinyl)propan-2-yl] ester IUPAC Name: [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-ethoxy-3-nitrobenzoate Traditional Name: 4-ethoxy-3-nitro-benzoic acid [2-keto-2-(2-ketoimidazolidin-1-yl)-1-methyl-ethyl] ester Formula: C15H17N3O7 MolecularWeight: 351.31138

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)OC(C)C(=O)N2CCNC2=O)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)OC(C)C(=O)N2CCNC2=O)[N+](=O)[O-]

InChI

InChI=1S/C15H17N3O7/c1-3-24-12-5-4-10(8-11(12)18(22)23)14(20)25-9(2)13(19)17-7-6-16-15(17)21/h4-5,8-9H,3,6-7H2,1-2H3,(H,16,21)