2-(2-methyl-5-nitro-imidazol-1-yl)ethyl 4-nitrobenzoate

Systemtic Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl 4-nitrobenzoate Openeye Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid 2-(2-methyl-5-nitro-1-imidazolyl)ethyl ester IUPAC Name: 2-(2-methyl-5-nitroimidazol-1-yl)ethyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl ester Formula: C13H12N4O6 MolecularWeight: 320.25758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N4O6/c1-9-14-8-12(17(21)22)15(9)6-7-23-13(18)10-2-4-11(5-3-10)16(19)20/h2-5,8H,6-7H2,1H3