2-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-5-nitro-benzenecarbonitrile Openeye Name: 2-[4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]-5-nitro-benzonitrile CAS Name: 2-[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]-5-nitrobenzonitrile IUPAC Name: 2-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]-5-nitrobenzonitrile Traditional Name: 2-[4-(4-chloro-2-nitro-phenyl)piperazino]-5-nitro-benzonitrile Formula: C17H14ClN5O4 MolecularWeight: 387.77716

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)[N+](=O)[O-])C#N)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)[N+](=O)[O-])C#N)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H14ClN5O4/c18-13-1-3-16(17(10-13)23(26)27)21-7-5-20(6-8-21)15-4-2-14(22(24)25)9-12(15)11-19/h1-4,9-10H,5-8H2