3-chloranyl-2-(3-nitrophenyl)-1H-1,2,4-triazol-5-one

Systemtic Name: 3-chloranyl-2-(3-nitrophenyl)-1H-1,2,4-triazol-5-one Openeye Name: 3-chloro-2-(3-nitrophenyl)-1H-1,2,4-triazol-5-one CAS Name: 3-chloro-2-(3-nitrophenyl)-1H-1,2,4-triazol-5-one IUPAC Name: 3-chloro-2-(3-nitrophenyl)-1H-1,2,4-triazol-5-one Traditional Name: 3-chloro-2-(3-nitrophenyl)-1H-1,2,4-triazol-5-one Formula: C8H5ClN4O3 MolecularWeight: 240.6033

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])N2C(=NC(=O)N2)Cl

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])N2C(=NC(=O)N2)Cl

InChI

InChI=1S/C8H5ClN4O3/c9-7-10-8(14)11-12(7)5-2-1-3-6(4-5)13(15)16/h1-4H,(H,11,14)