3-[[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]methyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]methyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[[4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]methyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]methyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[4-(4-chloro-2-nitro-phenyl)piperazino]methyl]-1,2,3-benzotriazin-4-one Formula: C18H17ClN6O3 MolecularWeight: 400.81898

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CN2C(=O)C3=CC=CC=C3N=N2)C4=C(C=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CN2C(=O)C3=CC=CC=C3N=N2)C4=C(C=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H17ClN6O3/c19-13-5-6-16(17(11-13)25(27)28)23-9-7-22(8-10-23)12-24-18(26)14-3-1-2-4-15(14)20-21-24/h1-6,11H,7-10,12H2