2-chloranyl-4-nitro-phenolate; piperazin-1-ium

Systemtic Name: 2-chloranyl-4-nitro-phenolate; piperazin-1-ium Openeye Name: 2-chloro-4-nitro-phenolate; piperazin-1-ium CAS Name: 2-chloro-4-nitrophenolate; piperazin-1-ium IUPAC Name: 2-chloro-4-nitrophenolate; piperazin-1-ium Traditional Name: 2-chloro-4-nitro-phenolate; piperazin-1-ium Formula: C20H28Cl2N6O6 MolecularWeight: 519.37892

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC[NH2+]1.C1CNCC[NH2+]1.C1=CC(=C(C=C1[N+](=O)[O-])Cl)[O-].C1=CC(=C(C=C1[N+](=O)[O-])Cl)[O-]

Isomeric SMILES

C1CNCC[NH2+]1.C1CNCC[NH2+]1.C1=CC(=C(C=C1[N+](=O)[O-])Cl)[O-].C1=CC(=C(C=C1[N+](=O)[O-])Cl)[O-]

InChI

InChI=1S/2C6H4ClNO3.2C4H10N2/c2*7-5-3-4(8(10)11)1-2-6(5)9;2*1-2-6-4-3-5-1/h2*1-3,9H;2*5-6H,1-4H2