(3-methyl-2-nitro-imidazol-4-yl)methyl 2-acetyloxybenzoate

Systemtic Name: (3-methyl-2-nitro-imidazol-4-yl)methyl 2-acetyloxybenzoate Openeye Name: (3-methyl-2-nitro-imidazol-4-yl)methyl 2-acetoxybenzoate CAS Name: 2-acetyloxybenzoic acid (3-methyl-2-nitro-4-imidazolyl)methyl ester IUPAC Name: (3-methyl-2-nitroimidazol-4-yl)methyl 2-acetyloxybenzoate Traditional Name: 2-acetoxybenzoic acid (3-methyl-2-nitro-imidazol-4-yl)methyl ester Formula: C14H13N3O6 MolecularWeight: 319.26952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC=C1C(=O)OCC2=CN=C(N2C)[N+](=O)[O-]

Isomeric SMILES

CC(=O)OC1=CC=CC=C1C(=O)OCC2=CN=C(N2C)[N+](=O)[O-]

InChI

InChI=1S/C14H13N3O6/c1-9(18)23-12-6-4-3-5-11(12)13(19)22-8-10-7-15-14(16(10)2)17(20)21/h3-7H,8H2,1-2H3