ethyl 2-(3-ethyl-2-methyl-5-nitro-imidazol-4-yl)-2-(4-nitrophenyl)ethanoate

Systemtic Name: ethyl 2-(3-ethyl-2-methyl-5-nitro-imidazol-4-yl)-2-(4-nitrophenyl)ethanoate Openeye Name: ethyl 2-(3-ethyl-2-methyl-5-nitro-imidazol-4-yl)-2-(4-nitrophenyl)acetate CAS Name: 2-(3-ethyl-2-methyl-5-nitro-4-imidazolyl)-2-(4-nitrophenyl)acetic acid ethyl ester IUPAC Name: ethyl 2-(3-ethyl-2-methyl-5-nitroimidazol-4-yl)-2-(4-nitrophenyl)acetate Traditional Name: 2-(3-ethyl-2-methyl-5-nitro-imidazol-4-yl)-2-(4-nitrophenyl)acetic acid ethyl ester Formula: C16H18N4O6 MolecularWeight: 362.33732

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NC(=C1C(C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCC)[N+](=O)[O-])C

Isomeric SMILES

CCN1C(=NC(=C1C(C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCC)[N+](=O)[O-])C

InChI

InChI=1S/C16H18N4O6/c1-4-18-10(3)17-15(20(24)25)14(18)13(16(21)26-5-2)11-6-8-12(9-7-11)19(22)23/h6-9,13H,4-5H2,1-3H3