2-(5-nitroimidazol-1-yl)propyl benzoate

Systemtic Name: 2-(5-nitroimidazol-1-yl)propyl benzoate Openeye Name: 2-(5-nitroimidazol-1-yl)propyl benzoate CAS Name: benzoic acid 2-(5-nitro-1-imidazolyl)propyl ester IUPAC Name: 2-(5-nitroimidazol-1-yl)propyl benzoate Traditional Name: benzoic acid 2-(5-nitroimidazol-1-yl)propyl ester Formula: C13H13N3O4 MolecularWeight: 275.26002

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC(=O)C1=CC=CC=C1)N2C=NC=C2[N+](=O)[O-]

Isomeric SMILES

CC(COC(=O)C1=CC=CC=C1)N2C=NC=C2[N+](=O)[O-]

InChI

InChI=1S/C13H13N3O4/c1-10(15-9-14-7-12(15)16(18)19)8-20-13(17)11-5-3-2-4-6-11/h2-7,9-10H,8H2,1H3