2-(2-methyl-5-nitro-imidazol-1-yl)ethyl 2-ethanoylbenzoate

Systemtic Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl 2-ethanoylbenzoate Openeye Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl 2-acetylbenzoate CAS Name: 2-acetylbenzoic acid 2-(2-methyl-5-nitro-1-imidazolyl)ethyl ester IUPAC Name: 2-(2-methyl-5-nitroimidazol-1-yl)ethyl 2-acetylbenzoate Traditional Name: 2-acetylbenzoic acid 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl ester Formula: C15H15N3O5 MolecularWeight: 317.2967

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15N3O5/c1-10(19)12-5-3-4-6-13(12)15(20)23-8-7-17-11(2)16-9-14(17)18(21)22/h3-6,9H,7-8H2,1-2H3