ethyl 2-(2-methyl-5,6-dinitro-benzimidazol-1-yl)ethanoate

Systemtic Name: ethyl 2-(2-methyl-5,6-dinitro-benzimidazol-1-yl)ethanoate Openeye Name: ethyl 2-(2-methyl-5,6-dinitro-benzimidazol-1-yl)acetate CAS Name: 2-(2-methyl-5,6-dinitro-1-benzimidazolyl)acetic acid ethyl ester IUPAC Name: ethyl 2-(2-methyl-5,6-dinitrobenzimidazol-1-yl)acetate Traditional Name: 2-(2-methyl-5,6-dinitro-benzimidazol-1-yl)acetic acid ethyl ester Formula: C12H12N4O6 MolecularWeight: 308.24688

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=NC2=CC(=C(C=C21)[N+](=O)[O-])[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)CN1C(=NC2=CC(=C(C=C21)[N+](=O)[O-])[N+](=O)[O-])C

InChI

InChI=1S/C12H12N4O6/c1-3-22-12(17)6-14-7(2)13-8-4-10(15(18)19)11(16(20)21)5-9(8)14/h4-5H,3,6H2,1-2H3