2H-benzotriazol-5-yl-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]methanone

Systemtic Name: 2H-benzotriazol-5-yl-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]methanone Openeye Name: 2H-benzotriazol-5-yl-[4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]methanone CAS Name: 2H-benzotriazol-5-yl-[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: 2H-benzotriazol-5-yl-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]methanone Traditional Name: 2H-benzotriazol-5-yl-[4-(4-chloro-2-nitro-phenyl)piperazino]methanone Formula: C17H15ClN6O3 MolecularWeight: 386.7924

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)Cl)[N+](=O)[O-])C(=O)C3=CC4=NNN=C4C=C3

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)Cl)[N+](=O)[O-])C(=O)C3=CC4=NNN=C4C=C3

InChI

InChI=1S/C17H15ClN6O3/c18-12-2-4-15(16(10-12)24(26)27)22-5-7-23(8-6-22)17(25)11-1-3-13-14(9-11)20-21-19-13/h1-4,9-10H,5-8H2,(H,19,20,21)