2-nitro-1-[5-nitro-3-(phenylmethyl)imidazol-4-yl]ethanone

Systemtic Name: 2-nitro-1-[5-nitro-3-(phenylmethyl)imidazol-4-yl]ethanone Openeye Name: 1-(3-benzyl-5-nitro-imidazol-4-yl)-2-nitro-ethanone CAS Name: 2-nitro-1-[5-nitro-3-(phenylmethyl)-4-imidazolyl]ethanone IUPAC Name: 1-(3-benzyl-5-nitroimidazol-4-yl)-2-nitroethanone Traditional Name: 1-(3-benzyl-5-nitro-imidazol-4-yl)-2-nitro-ethanone Formula: C12H10N4O5 MolecularWeight: 290.2316

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=NC(=C2C(=O)C[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC(=C2C(=O)C[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H10N4O5/c17-10(7-15(18)19)11-12(16(20)21)13-8-14(11)6-9-4-2-1-3-5-9/h1-5,8H,6-7H2