2-(2-methyl-5-nitro-imidazol-1-yl)ethyl 2,6-dimethanoylbenzoate

Systemtic Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl 2,6-dimethanoylbenzoate Openeye Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl 2,6-diformylbenzoate CAS Name: 2,6-diformylbenzoic acid 2-(2-methyl-5-nitro-1-imidazolyl)ethyl ester IUPAC Name: 2-(2-methyl-5-nitroimidazol-1-yl)ethyl 2,6-diformylbenzoate Traditional Name: 2,6-diformylbenzoic acid 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl ester Formula: C15H13N3O6 MolecularWeight: 331.28022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13N3O6/c1-10-16-7-13(18(22)23)17(10)5-6-24-15(21)14-11(8-19)3-2-4-12(14)9-20/h2-4,7-9H,5-6H2,1H3