1-(4-nitrophenyl)-2-(3-nitro-1,2,4-triazol-1-yl)ethanone

Systemtic Name: 1-(4-nitrophenyl)-2-(3-nitro-1,2,4-triazol-1-yl)ethanone Openeye Name: 1-(4-nitrophenyl)-2-(3-nitro-1,2,4-triazol-1-yl)ethanone CAS Name: 1-(4-nitrophenyl)-2-(3-nitro-1,2,4-triazol-1-yl)ethanone IUPAC Name: 1-(4-nitrophenyl)-2-(3-nitro-1,2,4-triazol-1-yl)ethanone Traditional Name: 1-(4-nitrophenyl)-2-(3-nitro-1,2,4-triazol-1-yl)ethanone Formula: C10H7N5O5 MolecularWeight: 277.19308

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)CN2C=NC(=N2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)CN2C=NC(=N2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C10H7N5O5/c16-9(5-13-6-11-10(12-13)15(19)20)7-1-3-8(4-2-7)14(17)18/h1-4,6H,5H2