2-(2-methanoyl-5-nitro-imidazol-1-yl)ethyl benzoate

Systemtic Name: 2-(2-methanoyl-5-nitro-imidazol-1-yl)ethyl benzoate Openeye Name: 2-(2-formyl-5-nitro-imidazol-1-yl)ethyl benzoate CAS Name: benzoic acid 2-(2-formyl-5-nitro-1-imidazolyl)ethyl ester IUPAC Name: 2-(2-formyl-5-nitroimidazol-1-yl)ethyl benzoate Traditional Name: benzoic acid 2-(2-formyl-5-nitro-imidazol-1-yl)ethyl ester Formula: C13H11N3O5 MolecularWeight: 289.24354

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCCN2C(=CN=C2C=O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCCN2C(=CN=C2C=O)[N+](=O)[O-]

InChI

InChI=1S/C13H11N3O5/c17-9-11-14-8-12(16(19)20)15(11)6-7-21-13(18)10-4-2-1-3-5-10/h1-5,8-9H,6-7H2