2-(2-methyl-5-nitro-imidazol-1-yl)ethyl 2-(2-oxidanylidene-2-phenyl-ethanoyl)benzoate

Systemtic Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl 2-(2-oxidanylidene-2-phenyl-ethanoyl)benzoate Openeye Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl 2-(2-oxo-2-phenyl-acetyl)benzoate CAS Name: 2-(1,2-dioxo-2-phenylethyl)benzoic acid 2-(2-methyl-5-nitro-1-imidazolyl)ethyl ester IUPAC Name: 2-(2-methyl-5-nitroimidazol-1-yl)ethyl 2-(2-oxo-2-phenylacetyl)benzoate Traditional Name: 2-(2-keto-2-phenyl-acetyl)benzoic acid 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl ester Formula: C21H17N3O6 MolecularWeight: 407.37618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCOC(=O)C2=CC=CC=C2C(=O)C(=O)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CCOC(=O)C2=CC=CC=C2C(=O)C(=O)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H17N3O6/c1-14-22-13-18(24(28)29)23(14)11-12-30-21(27)17-10-6-5-9-16(17)20(26)19(25)15-7-3-2-4-8-15/h2-10,13H,11-12H2,1H3