(4,5-dimethoxy-2-nitro-phenyl)methyl imidazole-1-carboxylate

Systemtic Name: (4,5-dimethoxy-2-nitro-phenyl)methyl imidazole-1-carboxylate Openeye Name: (4,5-dimethoxy-2-nitro-phenyl)methyl imidazole-1-carboxylate CAS Name: 1-imidazolecarboxylic acid (4,5-dimethoxy-2-nitrophenyl)methyl ester IUPAC Name: (4,5-dimethoxy-2-nitrophenyl)methyl imidazole-1-carboxylate Traditional Name: imidazole-1-carboxylic acid (4,5-dimethoxy-2-nitro-benzyl) ester Formula: C13H13N3O6 MolecularWeight: 307.25882

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)COC(=O)N2C=CN=C2)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)COC(=O)N2C=CN=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C13H13N3O6/c1-20-11-5-9(10(16(18)19)6-12(11)21-2)7-22-13(17)15-4-3-14-8-15/h3-6,8H,7H2,1-2H3