2-(4-chloranyl-3-nitro-phenyl)-1-oxidanyl-4H-1,2,4-benzotriazin-3-one

Systemtic Name: 2-(4-chloranyl-3-nitro-phenyl)-1-oxidanyl-4H-1,2,4-benzotriazin-3-one Openeye Name: 2-(4-chloro-3-nitro-phenyl)-1-hydroxy-4H-1,2,4-benzotriazin-3-one CAS Name: 2-(4-chloro-3-nitrophenyl)-1-hydroxy-4H-1,2,4-benzotriazin-3-one IUPAC Name: 2-(4-chloro-3-nitrophenyl)-1-hydroxy-4H-1,2,4-benzotriazin-3-one Traditional Name: 2-(4-chloro-3-nitro-phenyl)-1-hydroxy-4H-1,2,4-benzotriazin-3-one Formula: C13H9ClN4O4 MolecularWeight: 320.68796

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=O)N(N2O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)NC(=O)N(N2O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C13H9ClN4O4/c14-9-6-5-8(7-12(9)18(21)22)16-13(19)15-10-3-1-2-4-11(10)17(16)20/h1-7,20H,(H,15,19)