1-[3-[(2,4,6-trinitrophenyl)amino]-1,2,4-triazol-1-yl]ethanone

Systemtic Name: 1-[3-[(2,4,6-trinitrophenyl)amino]-1,2,4-triazol-1-yl]ethanone Openeye Name: 1-[3-(2,4,6-trinitroanilino)-1,2,4-triazol-1-yl]ethanone CAS Name: 1-[3-(2,4,6-trinitroanilino)-1,2,4-triazol-1-yl]ethanone IUPAC Name: 1-[3-(2,4,6-trinitroanilino)-1,2,4-triazol-1-yl]ethanone Traditional Name: 1-[3-(2,4,6-trinitroanilino)-1,2,4-triazol-1-yl]ethanone Formula: C10H7N7O7 MolecularWeight: 337.20528

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=NC(=N1)NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1C=NC(=N1)NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C10H7N7O7/c1-5(18)14-4-11-10(13-14)12-9-7(16(21)22)2-6(15(19)20)3-8(9)17(23)24/h2-4H,1H3,(H,12,13)